100-44-7
Benzyl Chloride
CAS: 100-44-7
Molecular Formula: C7H7Cl
100-44-7 - Names and Identifiers
| Name | Benzyl Chloride |
| Synonyms | ai3-15518 Tolyl chloride ω-Chlorotoluene α-Chlorotoluene A-CHLOROTOLUENE Benzyl Chloride AKOS BBS-00003953 alpha-Chlortoluol ALPHA-CHLOROTOLUENE alpha-tolylchloride alpha-chloro-toluen (Chloromethyl)Benzene (chloromethyl)-benzen 1-Chloromethylbenzene (chloromethyl)-Benzene 1-Chlorome-thylbenzene |
| CAS | 100-44-7 |
| EINECS | 202-853-6 |
| InChI | InChI=1/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2 |
100-44-7 - Physico-chemical Properties
| Molecular Formula | C7H7Cl |
| Molar Mass | 126.584 |
| Density | 1.08g/cm3 |
| Melting Point | -39℃ |
| Boling Point | 179.4°C at 760 mmHg |
| Flash Point | 73.9°C |
| Water Solubility | 0.3 g/L (20℃) |
| Vapor Presure | 1.28mmHg at 25°C |
| Refractive Index | 1.527 |
| Physical and Chemical Properties | Colorless transparent liquid, flammable. Melting Point -39.2 ℃, boiling point 179.4 ℃,99 ℃(8.27kPa),66 ℃(1.47kPa), relative density 1.1002(20/20 ℃), refractive index 1.5392, an explosive mixture is formed with air with an explosion limit of 1.1%-14% by volume and a flash point (open cup) of 60 °c. Soluble in ether, alcohol, chloroform and other organic solvents, insoluble in water, but can be volatilized with water vapor. With a strong pungent odor, there is a tear |
| Use | Organic synthetic intermediates, widely used in medicine, pesticides, spices, dyes, synthetic resins and so on. |
100-44-7 - Risk and Safety
| Hazard Symbols | T - Toxic |
| Risk Codes | R22 - Harmful if swallowed R23 - Toxic by inhalation R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R45 - May cause cancer R48/22 - Harmful danger of serious damage to health by prolonged exposure if swallowed. |
| Safety Description | S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S53 - Avoid exposure - obtain special instructions before use. |
| UN IDs | UN 1738 |
100-44-7 - Introduction
Chlorobenzene is an organic compound with the chemical formula C7H7Cl. It is a colorless and transparent liquid with a special aromatic odor. Benzyl chloride is mainly used as a solvent and chemical intermediate, and is widely used in fields such as organic synthesis, coatings, dyes, insecticides, and polymers.
Benzyl chloride is widely used in industry. It is mainly used in the fields of pesticides, medicines, fragrances, dye additives, and synthetic additives. It is used to develop and produce benzaldehyde, butyl benzyl phthalate, aniline, phoxim, Benzylpenicillin, benzyl alcohol, phenylacetonitrile, phenylacetic acid and other products. Benzyl chloride is a kind of benzyl halide irritating compound. In pesticides, it can not only directly synthesize organophosphorus fungicides rice blast net and different rice blast net, but also can be used as an important raw material for many other intermediates, such as synthesis of phenylacetonitrile, Benzoyl chloride, m-phenoxybenzaldehyde, etc. In addition, benzyl chloride is widely used in medicine, spices, dye additives, synthetic resins, etc. Then the waste liquid or waste produced by the enterprise in the production process inevitably contains a large amount of benzyl chloride intermediate.
Last Update：2024-04-09 19:55:45
100-44-7 - Nature
Open Data Verified Data
colorless transparent liquid, flammable, with a strong pungent odor. There was tear. The relative density was 1. 1002. Melting Point -39.2 °c. Boiling point 179.4 °c. Refractive index 5392. Form an explosive mixture with air, the explosion limit of 1.1~6 ~ 14% (volume). Soluble in ether, alcohol, chloroform and other organic solvents, insoluble in water, but can be volatilized with water vapor.
Last Update：2024-01-02 23:10:35
100-44-7 - Preparation Method
Open Data Verified Data
- toluene continuous photo-chlorination method dry iron-free toluene was added to an iron-free reactor and subjected to high-temperature chlorination under illumination. Then the chlorination product is fractionated to obtain benzyl chloride, and the by-product hydrogen chloride is absorbed with water to obtain hydrochloric acid. The by-product a-chloromethyl benzene can be made into benzaldehyde by hydrolysis.
- toluene non-photothermal chlorination method toluene is allowed to stand for more than 6 hours to remove iron, and then sent to the chlorination pan through the high level tank, heated to boiling with steam, then stopped, chlorine gas is introduced for chlorination, the benzyl chloride obtained by the continuous reaction was cooled through the bottom overflow pipe and then entered the storage tank.
Last Update：2022-01-01 10:41:04
100-44-7 - Use
Open Data Verified Data
benzyl chloride is mainly used in the production of plasticizer, synthetic aromatic, benzyl penicillin, pesticide rice blast and triphenylmethane dye.
Last Update：2022-01-01 10:41:04
100-44-7 - Safety
Open Data Verified Data
- This product is toxic, has a strong stimulating effect on the mucosa, has a tear-inducing effect. High concentrations have a paralytic effect. Rats were injected subcutaneously with LD50 lOOOmg/kg and inhaled with LD50150 × 10 -6. The maximum allowable concentration in air is 5mg/m3. Closed production, eliminate run, run, drop, leakage phenomenon. The tail gas was absorbed with water to recover hydrochloric acid. The operator should wear protective gear.
- packaged in glass bottles, polyethylene bottles or iron barrels. Store in a cool and dark place, avoid vibration during transportation, exposure to the sun, and keep away from fire.
Last Update：2022-01-01 10:41:05
100-44-7 - Nature
| melting point | -39 °C |
| boiling point | 179 °C |
| density | 1.1 g/mL at 25 °C(lit.) |
| vapor density | 4.36 (vs air) |
| Vapor pressure | 10.3mm Hg ( 60 °C) |
| refractive index | n20/D 1.538(lit.) |
| flash point | 165 °F |
| storage conditions | Store below +30°C. |
| solubility | soluble0.46g/L at 30°C (Decomposes in contact with water) |
| morphology | Liquid |
| color | Clear colorless to slightly yellow |
| Odor | Pungent, irritating. |
| explosion limit value (explosive limit) | 1.1-14%(V) |
| water solubility | 0.3 g/L (20 °C) |
| Merck | 14,1129 |
| BRN | 471308 |
| Henry's Law Constant | (x 10-4 atm?m3/mol): 3.57 at 20.00°C (inert gas stripping, Hovorka and Dohnal, 1997) |
| exposure limit | TLV-TWA 1 ppm (~5mg/m3) (ACGIH, MSHA, and OSHA); IDLH 10 ppm (NIOSH); carcinogenicity: Animal Limited Evidence, Human Inadequate Evidence (IARC). |
| stability | Unstable - inhibitors such as propylene oxide or trimethylamine are usually added to prevent polymerization. Combustible. Incompatible with strong oxidizing agents, water, acids, most common metals, dimethyl sulfoxide. Above flash point vapour-air mixtures are explosive within the limits noted above. Contact with water produces toxic fumes. |
| InChIKey | KCXMKQUNVWSEMD-UHFFFAOYSA-N |
| NIST chemical information | Benzyl chloride(100-44-7) |
| (IARC) Carcinogen Classification | 2A (Vol. 29, Sup 7, 71) 1999 |
| EPA chemical information | Benzyl chloride (100-44-7) |
Last Update：2024-04-09 19:55:45
100-44-7 - Preparation
S1, chlorination stage: put 300g of toluene and a certain amount of catalyst into the reaction vessel, drop 0.15g of inhibitor, turn on the tail gas absorption device and stirring, turn on the heating device, and start to heat up. when the reaction liquid rises to 50 ℃, close the heating device, open the chlorine valve and start to pass chlorine. the reaction has obvious heat release. pay attention to cooling and maintain the reaction temperature within the range of 50 ℃, chlorine is introduced at a speed of 400mL/min-600mL/min for 3h-5h, and sampling is followed during the chlorine application process. when the content of benzyl chloride in the reaction solution is 70%-80%, chlorine application is stopped, excess chlorine gas and by-product hydrogen chloride in the system are driven away with nitrogen, and temperature is dropped.
S2, rectification stage: put the chlorinated liquid into the rectification device, add a certain amount of polymerization inhibitor to the chlorinated liquid, turn on the circulating cooling water, turn on the water circulating vacuum pump, when the system vacuum reaches-0.098Mpa, turn on the heating device, start to heat up, when the gas phase reaches the top of the tower, make the system fully reflux for a period of time, then start to collect the previous fraction, and use, when the toluene content in the sample is 0.1%-0.2%, the pre-distillation is stopped and benzyl chloride with a content of 99.4%-99.8% is collected.
Last Update：2024-04-09 19:55:45
100-44-7 - Use
| use | is the raw material for the manufacture of dyes, fragrances, drugs, synthetic tanning agents, synthetic resins, etc. |
| use | Benzyl chloride is an important organic synthesis intermediate. In terms of pesticides, it can not only directly synthesize organophosphorus fungicides rice blast net and iso rice blast net, but also can be used as an important raw material for many other intermediates, such as synthesis of phenylacetonitrile, benzoyl chloride, m-phenoxybenzaldehyde, etc. In addition, it is widely used in medicine, spices, dye additives, synthetic resins, etc. |
| use | benzyl chloride is an important raw material for the production of benzyl alcohol, cyanobenzyl, phenylacetic acid, benzyl hydrochloride, penicillin, neogeramine, benzyl acetate, aniline, butyl benzyl phthalate. This product is widely used in medicine, dyes, pesticides, spices and other industries. |
| use | Make spices, dyes and artificial resins. Organic synthesis. |
| use | for organic synthesis |
Last Update：2024-04-09 19:55:45
100-44-7 - Production method
| production method | 1. Toluene continuous photochlorination method Add dry iron-free toluene to an iron-free reactor, and perform high-temperature chlorination under light. Then the chlorinated product is fractionated to obtain benzyl chloride, the by-product hydrogen chloride is absorbed with water to obtain hydrochloric acid, and the by-product α-dichloromethyl benzene can be hydrolyzed to produce benzaldehyde. 2. Toluene photothermal chlorination method Toluene is first allowed to stand for more than 6 hours to remove iron, then sent to a chlorination pot through a high-level tank, heated to boiling with steam, then stopped heating, passed into chlorine for chlorination, and the benzyl chloride prepared by continuous reaction enters the storage tank after cooling through the bottom overflow pipe. 3. Toluene reacts with thionyl chloride in the presence of catalyst peroxide. 4. Under the catalysis of zinc chloride, benzene ring chloromethylation. |
| production method | The preparation of benzyl chloride is mainly obtained by chlorination of toluene. At present, there are mainly two methods at home and abroad: photo-chlorination method and no photo-thermal chlorination method. From the process operation, the two methods have intermittent operation and continuous operation. From the reactor structure, continuous operation can be divided into horizontal continuous operation and vertical continuous operation. Because toluene continuous photoclorination method has the advantages of easy production in small batches and faster reaction speed than photothermal chlorination method, many domestic manufacturers adopt this process. Generally, small horizontal series continuous reactor groups are used. Add dry iron-free toluene into a glass chlorination bottle, heat to 110 ℃ to slowly boil the liquid, introduce chlorine under the irradiation of fluorescent lamp according to the mass ratio of chlorine to toluene of 1: 2.5, and carry out high temperature chlorination reaction at 110~120 ℃ to the end point. Unreacted toluene is recovered by distillation, and the fraction at 160~180 ℃ is collected as crude benzyl chloride. Then often pressure fractionation, collect 176~182 ℃ fraction, that is, to obtain the finished product of benzyl chloride. The non-photothermal chlorination of toluene generally uses a large vertical continuous enamel reactor. In addition, toluene reacts with sulfur chloride in the presence of catalyst peroxide, or benzene ring chloromethylation under the catalysis of zinc chloride, etc., can produce benzyl chloride. |
Last Update：2024-04-09 19:55:45
100-44-7 - Toxicity
| category | toxic substances |
| toxicity classification | Poisoning |
| acute toxicity | oral-rat LD50: 1231 mg/kg; Oral-mouse LD50:1500 mg/kg |
| explosive hazard characteristics | It can be explosive when mixed with air; it reacts violently with oxidants and explodes in the presence of metals; it has a corrosive effect on the skin, eyes and mucous membranes; |
| flammability hazard characteristics | Open flame is combustible; it reacts with water and oxidant to generate toxic corrosive gas hydrogen chloride; high heat decomposes toxic chloride gas |
| storage and transportation characteristics | The warehouse is ventilated and dry at low temperature; stored separately from oxidants and food additives |
| fire extinguishing agent | dry powder, foam, carbon dioxide, sand |
| occupational standards | TWA 1 5 mg/m3; STEL 2 11 mg/m3 |
Last Update：2024-04-09 19:55:45
100-44-7 - Security information
| dangerous goods mark | T,T |
| hazard category code | 45-22-23-37/38-41-48/22-43-26-46 |
| safety instructions | 53-45-36/37/39-28-26-36/37 |
| dangerous goods transport number | UN 1738 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS number | XS8925000 |
| F | 8-19 |
| auto-ignition temperature | 585 °C |
| TSCA | Yes |
| HazardClass | 6.1 |
| PackingGroup | II |
| customs code | 29039990 |
| toxic substance data | 100-44-7(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 440 mg/kg |
Last Update：2024-04-09 19:55:45
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