98-95-3
Nitrobenzene
CAS: 98-95-3
Molecular Formula: C6H5NO2
98-95-3 - Names and Identifiers
| Name | Nitrobenzene |
| Synonyms | NCI-C60082 Nitrobenzen nitro-benzen Nitrobenzene Nitrobenzeen Benzene,nitro- Oil of Myrbane Oil of Myrbane- essenceofmirbane Essence of Mirbane |
| CAS | 98-95-3 |
| EINECS | 202-716-0 |
| InChI | InChI=1/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H |
98-95-3 - Physico-chemical Properties
| Molecular Formula | C6H5NO2 |
| Molar Mass | 123.11 |
| Density | 1.196 g/mL at 25 °C (lit.) |
| Melting Point | 5-6 °C (lit.) |
| Boling Point | 210-211 °C (lit.) |
| Flash Point | 190°F |
| Water Solubility | slightly soluble |
| Solubility | 1.90g/l |
| Vapor Presure | 0.15 mm Hg ( 20 °C) |
| Vapor Density | 4.2 (vs air) |
| Appearance | Liquid |
| Color | Clear yellow |
| Exposure Limit | TLV-TWA 1 ppm (～5 mg/m3) (ACGIH,MSHA, and OSHA); IDLH 200 ppm(NIOSH). |
| Merck | 14,6588 |
| BRN | 507540 |
| pKa | 3.98(at 0℃) |
| PH | 8.1 (1g/l, H2O, 20℃) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Incompatible with strong oxidizing agents, strong reducing agents, strong bases. Flammable. Note wide explosion limits. |
| Explosive Limit | 1.8-40%(V) |
| Refractive Index | n20/D 1.551(lit.) |
| Physical and Chemical Properties | The pure product is colorless to light yellow oily liquid. melting point 5.85 ℃ boiling point 210.9 ℃ relative density 1.2037 refractive index 1.55296 flash point 88 ℃ soluble in ethanol, ether and benzene, slightly soluble in water. The Pure product is a colorless to pale yellow oily liquid. Soluble in ethanol, ether and benzene, water-soluble. |
| Use | Nitrobenzene is an important organic intermediate thereof. Nitrobenzene was sulfonated with sulfur trioxide to obtain m-nitrobenzene sulfonic acid. It can be used as a dye intermediate, mild oxidant and anti-dye salt s. Nitrobenzene was sulfonated with chlorosulfonic acid to obtain m-nitrobenzenesulfonyl chloride, which was used as intermediate of dye, medicine and so on. Nitrobenzene is chlorinated to M-nitrochlorobenzene, which is widely used in the production of dyes and pesticides. After reduction, M-chloroaniline can be obtained. Used as a dye orange GC, is also a pharmaceutical, pesticide, fluorescent whitening agent, organic pigment intermediates. Nitrobenzene re-nitration can be m-dinitrobenzene, by reduction can be m-phenylenediamine, used as dye intermediates, epoxy resin curing agent, petroleum additives, Cement accelerator, M-dinitrobenzene such as sodium sulfide for part also principle to M-nitroaniline. For the dye orange base R, is an intermediate of azo dyes and organic pigments. |
98-95-3 - Risk and Safety
| Risk Codes | R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R40 - Limited evidence of a carcinogenic effect R48/23/24 - R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R62 - Possible risk of impaired fertility R39/23/24/25 - R11 - Highly Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. R60 - May impair fertility R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R48/23/24/25 - R36 - Irritating to the eyes R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S28 - After contact with skin, wash immediately with plenty of soap-suds. S36/37 - Wear suitable protective clothing and gloves. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S28A - S16 - Keep away from sources of ignition. S7 - Keep container tightly closed. S27 - Take off immediately all contaminated clothing. S53 - Avoid exposure - obtain special instructions before use. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | UN 1662 6.1/PG 2 |
| WGK Germany | 2 |
| RTECS | DA6475000 |
| TSCA | Yes |
| HS Code | 29042010 |
| Hazard Class | 6.1 |
| Packing Group | II |
| Toxicity | LD50 orally in rats: 600 mg/kg (PB91-108398) |
98-95-3 - Nature
Open Data Verified Data
The NEAT was a colorless to pale yellow oily liquid. The relative density was 1. 2037. Melting point 5.85 °c. Boiling point 210.9 °c. Flash point 88 degrees Celsius. Spontaneous ignition point 482. Refractive index 55296. Flammable. Soluble in ethanol, ether and benzene, water-soluble.
Last Update：2024-01-02 23:10:35
98-95-3 - Preparation Method
Open Data Verified Data
first, nitric acid and sulfuric acid are mixed into mixed acid, and benzene is continuously nitrated at a certain temperature, and the reaction product is separated, neutralized with dilute alkali, washed with water, and separated to obtain crude nitrobenzene, the finished product was obtained after rectification.
Last Update：2022-01-01 10:44:28
98-95-3 - Use
Open Data Verified Data
basic organic chemical raw materials. Can be used to produce a variety of pharmaceutical and dye intermediates such as aniline, M-aminobenzene sulfonic acid, dinitrobenzene and so on. It can also be used as an organic solvent, and sometimes used as a weak oxidant in organic reactions. Such as the production of triaryl methane dyes.
Last Update：2022-01-01 10:44:27
98-95-3 - Safety
Open Data Verified Data
- This product is highly toxic. Oral administration of 15 drops can be fatal. Poisoning by inhalation or absorption through the skin. The symptoms of acute poisoning are unconsciousness, anesthesia, heart failure, uneven breathing, and the lips are still purple after leaving the poisoning environment. The oral LD700mg/kg of the Rabbit. Because alcohols can increase the blood toxicity of nitrobenzene poisoning, so the class before and after the class. The maximum allowable concentration in workplace air is 1 × 10-6. Production equipment should be sealed to prevent leakage. Good ventilation. Operators should wear protective gear.
- tightly packed in iron drum, 200kg net weight per barrel. Store in a cool, dry place. Fire Protection, sun protection. Storage and Transportation shall be carried out in accordance with the provisions for hazardous substances.
Last Update：2022-01-01 10:44:29
98-95-3 - Reference Information
| relative polarity | 4.5 |
| Henry's Law Constant | 9.86 at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999) |
| LogP | 1.86 at 24.5℃ and pH7.9 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| (IARC) carcinogen classification | 2B (Vol. 65) 1996 |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| important chemical raw materials | nitrobenzene is an important chemical raw material, which can be used to produce a variety of pharmaceutical and dye intermediates, it is also used in the manufacture of rubber accelerators, paints, explosives, etc. The greatest use of nitrobenzene is to reduce it to produce aniline. nitrobenzene is also used in the manufacture of dye intermediates such as M-dinitrobenzene and M-nitrobenzenesulfonic acid, the manufacture of fur brown EG, basic fuchsin and other dyes, the manufacture of aniline black, oil-soluble black and other solvent pigments, also used in the manufacture of quinoline and pesticide bactericide pentachloronitrobenzene. Since nitrobenzene can form a complex with anhydrous aluminum trichloride to dissolve aluminum trichloride while it does not undergo Friedel-Crafts reaction, it can be used as a solvent for Friedel-Crafts reaction. In addition, nitrobenzene can also be used as a molecular type inhibitor, which has the function of a retarder. |
| physical properties | the common name of nitrobenzene artificial bitter almond oil, dense spot oil, pure product is almost colorless or light yellow oily liquid, there is similar to the special smell of bitter almond oil, can be volatilized with water vapor together. Toxic. Relative density 1.307, melting point 5.70 ℃, boiling point 210.9 ℃. Common products often contain a small amount of dinitrobenzene and dinitrothiophene and other impurities, yellow or red-yellow liquid. Almost insoluble in water, soluble in ethanol, ether and other organic solvents. Aqueous solution with sweet, alkaline or acidic reduction can step-by-step generation of nitrosobenzene, phenylephrine, aniline, electrolytic reduction in weak acid to generate aniline directly, in strong acid to generate p-aminophenol. Toxicity LD50lg/kg (rabbit). nitrobenzene is one of the important intermediates in organic synthesis. Aniline can be prepared by adding acid or catalytic reduction with metal, and various azo dyes can be prepared by diazotization coupling reaction with aniline; if alkaline reduction can be prepared is important dye intermediates of benzidine (strong carcinogenic effect). Nitrobenzene has a strong toxicity, its vapor will be absorbed through the skin, should avoid the use of the eyes or skin. If the inhalation of a large number of steam or skin contamination, will cause acute poisoning, severe cases may lead to death. During chronic poisoning, hemoglobin is oxidized or complexed, and the blood becomes dark brown, causing headache, Nausea, Vomit and other diseases. |
| nitrobenzene poisoning | nitrobenzene is a highly toxic substance, which can be absorbed into human body through respiratory tract and skin, in addition, accidental poisoning can also be caused by accidental ingestion. The minimum and maximum olfactory concentration of nitrobenzene was 0.0182mg/m3 and 0.0169mg/m3. According to the data, when people in the concentration of 200~400mg/m3 inhaled a few hours after the symptoms of mild poisoning, safe concentration of 5~25mg/m3. Nitrobenzene in the human body mainly acts on the blood, liver and central nervous system. Acute poisoning, at first general malaise, Head Pain, dizziness, Nausea Vomit, at the same time pale, gradually turned gray-cyan, the tip of the tongue, gums, lips, fingers, toes purple; Severe cases can cause Dyspnea, disturbance of consciousness, slurred speech, ataxia, and even convulsions or convulsions, blood degeneration pigment increased. Chronic poisoning and the above symptoms are similar, only the onset time is slow. Nitrobenzene poisoning is still often residual sequelae after cure, such as Head Pain, easy to fatigue, anemia, heart dysfunction, stomach disease, etc. Skin contact can cause nodular or exudative eczema. The maximum allowable concentration in the air in the workshop is 5mg/m3. Reference: Feng Zhaorui, Ye Jixiang, editor-in-chief. Occupation Safety health Dictionary. Chengdu: Sichuan People's Publishing House. 1990. P. 551. |
| precautions for storage | nitrobenzene should be stored in a cool and dry warehouse, and should not be stacked in the open air, it cannot be stored and transported together with spontaneous combustion substance and oxidant. Storage period of six months is appropriate. The storage tank shall have good anti-static measures. Good ventilation facilities should be provided to discharge nitrobenzene vapor in time to prevent contact with skin. During the maintenance of the storage tank, the steam should be thoroughly cleaned before entering, and the outside should be monitored. Carbon dioxide, dry powder, 1211 or foam fire extinguishing agents can be used in fire fighting. Protective clothing and gas masks should be worn during fire fighting. |
| Application | as a basic organic chemical raw material, it is used to produce a variety of pharmaceutical and dye intermediates, such as aniline, M-aminobenzenesulfonic acid, dinitrobenzene, etc, also used as solvent used as analytical reagent gas chromatography stationary liquid and solvent for Friedel-Crafts reaction nitrobenzene is an important organic intermediate thereof. Nitrobenzene was sulfonated with sulfur trioxide to obtain m-nitrobenzene sulfonic acid. It can be used as a dye intermediate, mild oxidant and anti-dye salt s. Nitrobenzene was sulfonated with chlorosulfonic acid to obtain m-nitrobenzenesulfonyl chloride, which was used as intermediate of dye, medicine and so on. Nitrobenzene is chlorinated to M-nitrochlorobenzene, which is widely used in the production of dyes and pesticides. After reduction, M-chloroaniline can be obtained. Used as a dye orange GC, is also a pharmaceutical, pesticide, fluorescent whitening agent, organic pigment intermediates. Nitrobenzene re-nitration can be m-dinitrobenzene, by reduction can be m-phenylenediamine, used as dye intermediates, epoxy resin curing agent, petroleum additives, Cement accelerator, M-dinitrobenzene such as sodium sulfide for part also principle to M-nitroaniline. For the dye orange base R, is an intermediate of azo dyes and organic pigments. |
| production method | is obtained by nitration of benzene with mixed acid. This is a traditional method for the production of nitrobenzene, which was initially produced by a batch process, later developed a continuous process, and recently developed into an adiabatic nitrification process. The batch process is the reaction of benzene and mixed acid in a cast iron nitrifying pot at 50 °c. Continuous nitrification using a series of nitrating apparatus, in order to make full use of nitric acid is to reduce the formation of dinitrobenzene, adding a slight excess of benzene. The advantage of the continuous process is that the production capacity is large and the concentration of nitric acid can be appropriately reduced. The adiabatic nitration method can be operated intermittently or continuously, the reaction heat can be used to concentrate sulfuric acid, and the by-product dinitrobenzene is less. Raw material consumption quota: Pure benzene (industrial) 665kg/t, nitric acid (98% 570kg/t, sulfuric acid (92.5%)50kg/t, soda ash 20kg/t. |
| category | pesticide |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 780 mg/kg; Oral-rat LD50: 590 mg/kg |
| stimulation data | Skin-rabbits 500 mg/24 h mild; eye-rabbit 500 mg/24 h mild |
| explosive hazard characteristics | explosive when mixed with air |
| flammability hazard characteristics | open flame, high heat flammability; Reaction with nitric acid; toxic NOx smoke from combustion |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Stored separately from oxidant and nitric acid |
| fire extinguishing agent | foam, carbon dioxide, sand, water mist |
| Occupational Standard | TLV-TWA 1 PPM (5 mg/m3); Tel 2 PPM (10 mg/m3) |
| spontaneous combustion temperature | 899 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
| immediate life-and health-threatening concentration | 200 ppm |
Last Update：2024-04-09 21:11:58
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