Benzene, PestiSolv(R)
Benzene
CAS: 71-43-2;174973-66-1;54682-86-9
Molecular Formula: C6H6
Benzene, PestiSolv(R) - Names and Identifiers
| Name | Benzene |
| Synonyms | Phene Benzol Benzene Benzolene pyrobenzol carbon oil BENZENE 300 [6]Annulene (6)annulene Pure benzol Coal naphtha motor benzol BENZENE 5000 Phenyl hydride cyclohexatriene mineral naphtha Benzol,HPLC Grade AKOS BBS-00004227 nitration benzene Benzene, OMniSolv(R) Benzene, PestiSolv(R) bicarburet of hydrogen Benzene, for spectroscopy |
| CAS | 71-43-2 174973-66-1 54682-86-9 |
| EINECS | 200-753-7 |
| InChI | InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H |
| InChIKey | UHOVQNZJYSORNB-UHFFFAOYSA-N |
Benzene, PestiSolv(R) - Physico-chemical Properties
| Molecular Formula | C6H6 |
| Molar Mass | 78.11 |
| Density | 0.874 g/mL at 25 °C (lit.) |
| Melting Point | 5.5 °C (lit.) |
| Boling Point | 80 °C (lit.) |
| Flash Point | 12°F |
| Water Solubility | 0.18 g/100 mL |
| Solubility | Miscible with alcohol, chloroform, dichloromethane, diethyl ether, acetone and acetic acid. |
| Vapor Presure | 166 mm Hg ( 37.7 °C) |
| Vapor Density | 2.77 (vs air) |
| Appearance | Liquid |
| Color | APHA: ≤10 |
| Odor | Paint-thinner-like odor detectable at 12 ppm |
| Exposure Limit | TLV-TWA 10 ppm (～32 mg/m3) (ACGIHand OSHA); ceiling 25 ppm (～80 mg/m3)(OSHA and MSHA); peak 50 ppm (～160mg/m3)/10 min/8 h (OSHA); carcinogenicity:Suspected Human Carcinogen (ACGIH),Human Sufficient Ev |
| Maximum wavelength(λmax) | ['λ: 280 nm Amax: 1.0', , 'λ: 290 nm Amax: 0.15', , 'λ: 300 nm Amax: 0.06', , 'λ: 330 |
| Merck | 14,1066 |
| BRN | 969212 |
| pKa | 43(at 25℃) |
| Storage Condition | room temp |
| Stability | Stable. Substances to be avoided include strong oxidizing agents, sulfuric acid, nitric acid, halogens. Highly flammable. |
| Explosive Limit | 1.4-8.0%(V) |
| Refractive Index | n20/D 1.501(lit.) |
| Physical and Chemical Properties | Molecular Weight: 78.11 |
| Use | Basic chemical raw materials, used as solvents and synthetic benzene derivatives, spices, dyes, plastics, pharmaceuticals, explosives, rubber, etc. |
Benzene, PestiSolv(R) - Risk and Safety
| Risk Codes | R45 - May cause cancer R46 - May cause heritable genetic damage R11 - Highly Flammable R36/38 - Irritating to eyes and skin. R48/23/24/25 - R65 - Harmful: May cause lung damage if swallowed R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. |
| Safety Description | S53 - Avoid exposure - obtain special instructions before use. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37 - Wear suitable protective clothing and gloves. S16 - Keep away from sources of ignition. S7 - Keep container tightly closed. |
| UN IDs | UN 1114 3/PG 2 |
| WGK Germany | 3 |
| RTECS | CY1400000 |
| FLUKA BRAND F CODES | 3-10 |
| TSCA | Yes |
| HS Code | 2902 20 00 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 orally in young adult rats: 3.8 ml/kg (Kimura) |
Benzene, PestiSolv(R) - Upstream Downstream Industry
| Raw Materials | Nitrogen Naphtha (petroleum), light alkylate |
| Downstream Products | tert-Butylbenzene Styrene Cyclohexane Ethylbenzene Biphenyl 2-Picoline 3-Picoline Pyridine 2-Bromopyridine 2,4,6-Collidine |
Benzene, PestiSolv(R) - Nature
Open Data Verified Data
It is a colorless transparent volatile liquid at normal temperature and pressure. Volatile, with ethanol, ether, acetone, chloroform, acetic acid, carbon disulfide, carbon tetrachloride and oil and other organic solvents miscible. Soluble in water: 23.5 ℃, 0.188% cw/w). Benzene is a non-decomposable compound. Its vapor can form an explosive mixture with air. It is very easy to cause combustion and explosion in the face of high heat or open fire. It is easy to generate and accumulate static electricity. The reaction was intense in contact with the oxidant.
Last Update：2024-01-02 23:10:35
Benzene, PestiSolv(R) - Preparation Method
Open Data Verified Data
industrial benzene may be continuously washed with concentrated sulfuric acid to remove the impurity thiophene content, then washed with water and 5% sodium hydroxide solution, dried with anhydrous calcium chloride, and the supernatant may be distilled.
Last Update：2022-01-01 09:25:13
Benzene, PestiSolv(R) - Use
Open Data Verified Data
A standard sample for measuring the refractive index. It can be used as a solvent and cleaning agent for precision optical instruments, electronic industry, etc., organic synthesis, etc.
Last Update：2022-01-01 09:25:14
Benzene, PestiSolv(R) - Safety
Open Data Verified Data
adult rat oral LDso:3.8/kg. For carcinogens. High concentration of benzene on the central nervous system has anesthetic effect, causing acute poisoning I long-term exposure to benzene on the hematopoietic system damage, causing chronic poisoning. Keep away from fire and heat source. Storage temperature should not exceed 30 ℃. Keep the container sealed. Should be stored separately from the oxidant, edible chemicals, avoid mixed storage.
Last Update：2022-01-01 09:25:14
Benzene, PestiSolv(R) - Reference Information
| relative polarity | 0.111 |
| olfactory Threshold | 2.7ppm |
| Henry's Law Constant | 10.4 at 45.00 °C, 11.4 at 50.00 °C, 13.3 at 55.00 °C, 14.5 at 60.00 °C, 16.8 at 65.00 °C, 19.2 at70.00 °C (static headspace-GC, Park et al., 2004) |
| (IARC) carcinogen classification | 1 (Vol. 29, Sup 7. 100F, 120) 2018 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| simplest aromatic hydrocarbon | benzene is the simplest aromatic hydrocarbon with the molecular formula C6H6. In 1865, the German chemist F.A. Kekule proposed that benzene has A hexagonal structure with single and double bonds arranged alternately, which has been used up to now. According to the hybrid orbital theory, the six pi electrons in the benzene molecule are a whole, uniformly distributed above and below the ring plane, the structure of benzene can also be indicated by adding a circle to the hexagon (see "aromatic hydrocarbon"). Benzene molecules have a special aromatic ring structure. Hydrocarbons containing a benzene ring structure are called aromatic hydrocarbons, and compounds containing a benzene ring structure are all called aromatic compounds. FIG. 1 shows the molecular structure of benzene. |
| molecular structure | the 6 carbon atoms and 6 hydrogen atoms in the benzene molecule are in the same plane and form a regular hexagon. The bond lengths are equal, and the bond angles are all 120 °. Each carbon atom in the benzene molecule is sp2 hybridized, and the p orbitals on each carbon atom that do not participate in hybridization are parallel to each other (perpendicular to the plane of the benzene ring), and overlap to form a closed conjugated system. Because of the closed conjugated system in benzene molecule, its properties are different from those of common olefins and have special properties. Benzene is an important chemical raw material. Polystyrene plastics, styrene-butadiene rubber, synthetic detergents, synthetic drugs, dyes and pesticides can be prepared from benzene. |
| Chemical reaction | benzene is stable in chemical properties, aromatic, easy to occur substitution reaction-halogenation, nitration, sulfonation, fourier reaction. The addition reaction can occur under appropriate conditions; It is not oxidized by oxidants such as potassium permanganate; In the presence of vanadium pentoxide at high temperature, it can be oxidized to maleic anhydride by air. 1. Substitution reaction can occur with halogen under the catalysis of Iron: C6H6 Cl2 =(Fe catalyst) = C6H5Cl HCl. 2. The mixture of benzene and concentrated nitric acid and concentrated sulfuric acid generates nitrobenzene: C6H6 HNO3 = (concentrated H2SO4)= C6H5NO2 H2O. 3. Benzene is heated with concentrated sulfuric acid to form benzenesulfonic acid. FIG. 2 is a chemical reaction formula for coheating benzene with concentrated sulfuric acid to form benzenesulfonic acid. chlorobenzene, nitrobenzene, benzene sulfonic acid are important chemical raw materials. Benzene and chlorine in the ultraviolet radiation, the generation of pesticides six six. benzene is one of the main components of coal tar, which is mainly produced from reformed gasoline and cracked gasoline in industry. Benzene is an important chemical raw material and solvent. Benzene is volatile, toxic, and easy to burn, should pay attention to safety when using. |
| heavy benzene refining | One of the crude benzene refining process. Distillation of heavy benzene in a distillation column. With the gradual increase of the top temperature of the column, the pre-fraction before 150 ℃, the refined heavy benzene (also known as coumarone fraction) at 150~195 ℃, the low naphthalene oil at 195~210 ℃, high naphthalene oil at 210-225 °c and residue in the rectification vessel. The pre-fraction containing more xylene and trimethylbenzene is sent to a light benzene storage tank for use as light benzene. Refined heavy benzene mainly contains coumarone, indene, xylene, three toluene, styrene and so on. When using refined benzene as a raw material to produce the coumarone-indene resin, the presence of styrene will decrease the softening point of the coumarone-indene resin. Therefore, in the distillation operation, when cutting out the pre-distillation before 150 ℃, the temperature at the top of the column should be controlled by reflux so that styrene can be cut into the pre-fraction to the maximum extent, so that the quality indicators of refined benzene (see table 1) meet the requirements. The low naphthalene oil and the residue in the kettle are sent to a tar storage tank for further processing and use with the tar. High naphthalene oil is used as a raw material for the production of industrial naphthalene. The first grade and second grade density (20 ℃), g/mL0.830 ~ 0.890 distillation range: initial distillation point, distillate amount before ℃ 200 ℃,% (capacity) water,% coumarone, indene content,%160850.540160850.530 Table 1 shows the technical index of Chinese refined benzene. |
| application field | benzene is one of the important chemical raw materials, which can be used to prepare dyes, pesticides, plastics, resins, synthetic rubber, synthetic fiber, synthetic detergent, synthetic agent, varnish, etc. (see figure 3). FIG. 3 is a graph showing the utilization of benzene. benzene is also an indispensable solvent and raw material for fine chemicals. Can be substituted, alkylation, acylation, addition, halogenation, nitration, sulfonation, oxidation, hydrogenation and other reactions to prepare a variety of benzene derivatives, such as chlorobenzene, nitrobenzene, phenol and ethylbenzene, these derivatives are important intermediates, widely used in spices, detergents, food additives, surfactants, emulsifiers, dyes, pigments, plastics, rubber, coatings, adhesives, plasticizers, polymerization initiators, pesticides, medicine, explosives, synthetic resins, solvents, lubricants, etc. benzene is a good solvent for rubber, fats and many resins, which is gradually replaced by other solvents due to its high toxicity. Benzene can be added to gasoline to improve its anti-knock performance, and can also be used as a high octane number of automobile fuel. by the 1950s, benzene was almost entirely separated from the light oil fraction of coke oven gas and coal tar. In recent years, benzene is mainly obtained from the catalytic reforming of certain fractions of petroleum (e. G. Naphtha, also known as crude gasoline). Benzene can also be prepared by disproportionation of toluene or dealkylation of alkyl benzenes. In the developed countries of petrochemical industry, benzene is mainly derived from the aromatization process of petroleum processing, or from crude benzene refining in coking industry, the latter is specifically referred to as coking benzene (see light benzene pickling and catalytic hydrogenation of light benzene). All large coking plants in China produce coking benzene. China will be divided into the coking benzene with benzene, benzene and benzene with solvent. This information was edited by chemical book Xiaonan (2015-09-07). |
| benzene poisoning | in the production environment, benzene enters the human body mainly in the form of vapor through the respiratory tract, and is rarely absorbed by the skin. About 50% of the benzene entering the body is excreted by the respiratory tract in its original form, and 40% is oxidized into phenolic compounds such as hydroquinone, catechol and benzenetriol under the action of mixed function oxidase of liver microsomes, combined with sulfate and glucuronic acid or directly with the urine excretion. About 10% of benzene accumulates in lipid-rich tissues such as bone marrow, fat and nervous system, and is gradually converted into the above metabolites and excreted in vitro. The main metabolites of benzene in the body are phenolic compounds. Determination of urinary phenol content can reflect the exposure level of benzene. The pathogenesis of benzene poisoning has not been fully elucidated. At present, it is mainly considered to be caused by phenol, a metabolite of benzene, it can directly inhibit the nuclear division of hematopoietic cells, and has obvious damage to the most active immature cells in the bone marrow. It can be seen that the nucleus is concentrated, and the toxic particles and vacuoles appear in the cytoplasm. ② it has the function of damaging hematopoietic stem cells, causing the reduction of hematopoietic stem cell replication and affecting the hematopoietic microenvironment, causing hematopoietic dysfunction. ③ covalently bind to DNA, inhibit the transcription of DNA, and inhibit cell proliferation. It can also damage DNA directly, induce mutations or chromosomal aberrations. |
| clinical manifestations | 1. Acute poisoning: acute benzene poisoning is caused by inhalation of a large amount of benzene vapor in a short time, mainly manifested as the anesthetic effect of the central nervous system. The light person presented with excitement, dizziness and other alcoholic state, followed by Nausea, Vomit, unsteady gait, mild confusion and so on. Severe cases may appear Coma, convulsions, delirium. In severe cases, respiratory and cardiac arrest may occur. Laboratory examination showed increased urine phenol and blood benzene. 2. Chronic poisoning: Long-term exposure to higher concentrations of benzene can cause chronic poisoning, the main clinical manifestations are as follows: (1) nervous system: Most patients have Head Pain, dizziness, Sleep Initiation and Maintenance Disorders, memory loss and other neurasthenia syndrome, some with autonomic nerve dysfunction. (2) hematopoietic system: the damage to the hematopoietic system is the main feature of chronic benzene poisoning, the earliest and most common manifestation is the continuous decrease of white blood cell count, mainly neutropenia, lymphocytes were relatively increased. Toxic granules and vacuoles were found in the cytoplasm of neutrophils. Subsequent thrombocytopenia, skin, mucous membrane bleeding tendency, female menorrhagia, postpartum hemorrhage. Early red blood cells generally do not decrease. In the late stage of poisoning, pancytopenia and even aplastic anemia occur. Mild poisoning bone marrow is mostly normal, late typical bone marrow for regeneration of defective type, some cases showed focal pathological hyperplasia. Benzene can cause leukemia. In addition, long-term exposure to benzene skin can become dry, desquamation, chapped due to degreasing, some allergic eczema. |
| first aid and prevention | 1. The rescue of acute poisoning should prevent respiratory paralysis and ventricular fibrillation as soon as possible. Do not use epinephrine. At present, there is no specific antidote, intravenous infusion of a large number of vitamin C and glucuronic acid, a supplementary detoxification. Acute poisoning by active rescue, better recovery. Sometimes symptoms such as limping and Sleep Initiation and Maintenance Disorders, dizziness can last for weeks. Individual may have neurasthenia syndrome, respiratory inflammation or mental disorders and other sequelae. 2. The treatment effect of chronic benzene poisoning is not satisfactory. According to the syndrome differentiation of traditional Chinese medicine, the method of invigorating qi and blood, benefiting blood and warming and tonifying kidney yang is used in China, and the combination therapy with leukocyte-elevating drugs has a certain short-term effect on subjective symptoms and leukocyte improvement, but the long-term effect is not ideal. Benzene poisoning caused by aplastic anemia, treatment principles with primary aplastic anemia. You can first try oral administration of kanglilong (2mg each time, three times a day) and prednisone (10~20mg each time, three times a day). If the curative effect is not good, you can switch to intramuscular injection of testosterone propionate, 50~100mg daily, at least 3 months. Some patients can recover after treatment. [prevention] Prevention of benzene poisoning should be to reduce the concentration of benzene in the air of the workplace. For example, the small and medium-sized painting industry, the use of local mechanical ventilation, large and medium-sized painting can be designed under the suction exhaust spray room or cabinet suction equipment, trial production of various automatic painting equipment and electrostatic painting device. With non-toxic or low toxicity of toluene, xylene, gasoline, raffinate oil instead of benzene as solvent. Activated carbon filter masks are commonly used for personal protection. Benzene Hand Sanitization is contraindicated. Strengthen pre-employment and regular preventive medical examinations. [maximum allowable concentration] the maximum allowable concentration of benzene (skin) in the air of the workshop is 40mg/m3. |
| the harm and reproductive toxicity of benzene series | benzene, toluene and xylene are important chemical raw materials and solvents, the three often exist at the same time in the production environment, known as benzene series. Rubber, paint, paint, pharmaceutical, synthetic fiber, dyes, pesticides, artificial leather production and printing industry can be exposed to benzene. The toxicity of toluene and xylene is lower than that of benzene. In recent years, it has been used to replace benzene as a solvent for rubber and resin and a diluent for paint and paint. When the concentration of benzene in the air of the workshop is very high, it can cause acute benzene poisoning, but more often it is caused by chronic poisoning caused by long-term inhalation of low concentrations of benzene. Benzene mainly affects the hematopoietic system and the nervous system. Early poisoning symptoms of neurasthenia, white blood cell reduction, after red blood cells, thrombocytopenia, severe aplastic anemia, bone marrow hematopoietic dysfunction, resulting in pancytopenia. Patients often have gingival bleeding, epistaxis, subcutaneous bleeding, menorrhagia, etc. Toluene and xylene have a strong stimulating effect on the skin and mucosa. Acute poisoning for the performance of anesthesia (like alcoholic), chronic poisoning also appear neurasthenia symptoms, the toxic effect on the blood system is not obvious. benzene, toluene, xylene can cause Female menstrual disorders, the main performance is menorrhagia, prolonged menstruation, followed by menstrual cycle disorders. Whether benzene, toluene and xylene can cause spontaneous abortion and birth defects, the results of the researchers are not consistent. It is reported in China that the spontaneous abortion rate of female workers exposed to mixed benzene (benzene, toluene and xylene exist in the production environment) is increased. However, a Swedish survey of some university laboratory staff found that women exposed to benzene, toluene and xylene did not have a higher rate of spontaneous abortion than the general population. It has been reported in China that the incidence of congenital malformation in the children of female workers exposed to mixed benzene is significantly increased, but there are also reports that the incidence is not high, which may be related to the concentration of benzene, toluene and xylene exposed to female workers during pregnancy. So-called "toluene embryopathy" has been reported abroad ". There were 3 children whose mothers inhaled large amounts of pure toluene throughout pregnancy (as a habit, addiction, abuse of toluene) and whose babies had microcephaly, central nervous system dysfunction, small maxillofacial and limb abnormalities and growth retardation. Of course, Such high concentrations of toluene in the production environment are not possible. The molecular weights of benzene, toluene and xylene were small, and they were easy to penetrate the placenta and affect the fetus. The incidence of hyperemesis gravidarum and pregnancy-induced hypertension syndrome increased in female workers exposed to mixed benzene during pregnancy; the incidence of low birth weight (less than 2.5) was also higher than in the general population. Therefore, in order to protect the health of female workers and their children, pregnancy is best from benzene, toluene, xylene concentration exceeds the national health standards of the working environment. |
| Use | One of the most important basic organic chemical raw materials. Benzene through substitution reaction, addition reaction and benzene ring cracking reaction, can be derived from many important chemical intermediates, is the production of synthetic resin, plastic, synthetic fiber, rubber, detergent, dye, medicine, pesticides, explosives and other important basic raw materials. Benzene is also widely used as a solvent and in the oil refining industry as an admixture to increase the octane number of gasoline. used as solvent, synthetic dye, plastic, rubber, fiber, pesticide raw material is the production of synthetic resin, synthetic rubber, synthetic fiber, dye, detergent, medicine, important raw materials of pesticides and special additives, but also the main solvent used as a pure solvent and the determination of refractive index as a standard sample, also used as a precision optical instrument, electronic industry and other solvents and cleaning agents basic chemical raw materials, used as solvents and synthetic benzene derivatives, spices, dyes, plastics, pharmaceuticals, explosives, rubber and so on. |
| production method | in 1849, Mansfield separated benzene from coal tar. Recovery of benzene from coke oven gas was achieved after 1876, and dealkylation of alkylbenzene to benzene was achieved in 1961. In recent years, benzene and xylene were prepared by disproportionation of toluene, and benzene was also separated from pyrolysis gasoline. The production and supply of benzene are different in different countries and regions. The United States is mainly obtained from reformed gasoline, Western Europe is mainly from pyrolysis gasoline, and China is mainly produced by reformed gasoline and coking by-products. Recovery of benzene from coking by-products the high-temperature tar produced by-products of high-temperature coking contains a part of benzene. First of all, the initial distillation column, the top of the light benzene, heavy benzene at the bottom of the column (heavy benzene is used as a raw material for the preparation of coumarone resin). The light benzene is first separated by an initial distillation column, and the mixed fraction at the bottom of the column is washed with acid and alkali to remove impurities. Then it is steamed and blown in a benzene blowing column, and then distilled by a rectification column to obtain pure benzene. 2. The light gasoline (initial distillation point is about 138 ℃) obtained by the atmospheric distillation of platinum reforming method, and the fraction of more than 65 ℃ is cut off. The harmful impurities are removed by catalytic hydrogenation of the molybdenum-containing catalyst, and then reformed by the platinum catalyst, extraction with a diethylene glycol ether solvent followed by column-by-column distillation yields the products of benzene, toluene, xylene, etc. 3. Cracking gasoline to benzene process cracking gasoline generally contains about 40%-70% of aromatic hydrocarbons. Aromatic hydrocarbons contain about 37% of benzene, toluene about 14%, xylene about 5%. Benzene was extracted by hydrodealkylation. The cracking gasoline is first subjected to two-stage catalytic hydrogenation, catalytic dealkylation and hydrogen purification, alkylbenzene is converted into benzene, and then benzene is obtained by fractionation. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 930 mg/kg; Oral-mouse LD50: 4700 mg/kg (solvent benzene) |
| stimulation data | Skin-rabbits 15 mg/24 h mild; Eyes-rabbits 88 mg moderate (solvent benzene) |
| explosive hazard characteristics | explosive when mixed with air |
| flammability hazard characteristics | when exposed to heat, open flame, strong oxidant combustion; Thermal decomposition of spicy stimulus smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant; filling flow rate does not exceed 3 m/s |
| extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 extinguishing agent |
| Occupational Standard | TWA 16 mg/m3; Tel 20 mg/m3 |
| spontaneous combustion temperature | 560°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
| immediate life-and health-threatening concentration | 500 ppm |
Last Update：2024-07-11 10:56:15
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