Benzotrichloride
- CAS No.
- 98-07-7
- Chemical Name:
- Benzotrichloride
- Synonyms
- (TRICHLOROMETHYL)BENZENE;benzotrichlorid;Benzenyl trichloride;Benzylidyne chloride;Trichloromethylnezene;α，α，α-Trichlorotoluene;α,α,α-Trichlorotoluene;ai3-02583;BenzotrichL;alpha.alpha.al
- CBNumber:
- CB6339243
- Molecular Formula:
- C7H5Cl3
- Molecular Weight:
- 195.47
- MOL File:
- 98-07-7.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/3/14 15:18:27
| Melting point | −7.5-−7 °C(lit.) |
|---|---|
| Boiling point | 219-223 °C760 mm Hg(lit.) |
| Density | 1.38 g/mL at 25 °C(lit.) |
| vapor density | 6.77 (vs air) |
| vapor pressure | 0.2 mm Hg ( 20 °C) |
| refractive index |
n |
| Flash point | 207 °F |
| storage temp. | room temp |
| solubility | alcohol: soluble |
| form | Liquid |
| color | Clear yellow |
| Odor | penetrating odor |
| Water Solubility | HYDROLYSIS |
| Sensitive | Moisture Sensitive |
| Merck | 14,1109 |
| BRN | 508152 |
| Exposure limits | ACGIH: Ceiling 0.1 ppm (Skin) |
| Dielectric constant | 7.4（20℃） |
| Stability | Stable, but moisture sensitive. Incompatible with strong oxidizing agents, moisture. |
| InChIKey | XEMRAKSQROQPBR-UHFFFAOYSA-N |
| LogP | 2.92 at 20℃ and pH6 |
| CAS DataBase Reference | 98-07-7(CAS DataBase Reference) |
| IARC | 2A (Vol. 29, Sup 7, 71) 1999 |
| NIST Chemistry Reference | Benzene, (trichloromethyl)-(98-07-7) |
| EPA Substance Registry System | Benzotrichloride (98-07-7) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |    GHS05,GHS06,GHS08 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H302-H315-H317-H318-H331-H335-H350 | |||||||||
| Precautionary statements | P280-P301+P312-P302+P352-P304+P340+P311-P305+P351+P338-P308+P313 | |||||||||
| Hazard Codes | T | |||||||||
| Risk Statements | 45-22-23-37/38-41 | |||||||||
| Safety Statements | 53-45 | |||||||||
| RIDADR | UN 2226 8/PG 2 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | XT9275000 | |||||||||
| Autoignition Temperature | 411 °F | |||||||||
| TSCA | Yes | |||||||||
| HazardClass | 8 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 29039990 | |||||||||
| Toxicity | LD50 orally in rats: 6.0 g/kg (Smyth) | |||||||||
| NFPA 704 |
|
Benzotrichloride price More Price(4)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 147893 | α,α,α-Trichlorotoluene 98% | 98-07-7 | 500G | ₹16932.75 | 2022-06-14 | Buy |
| TCI Chemicals (India) | T0399 | Benzotrichloride min. 99.0 % | 98-07-7 | 25G | ₹2000 | 2022-05-26 | Buy |
| TCI Chemicals (India) | T0399 | Benzotrichloride min. 99.0 % | 98-07-7 | 500G | ₹3600 | 2022-05-26 | Buy |
| ottokemi | B 1616 | Benzotrichloride 98% | 98-07-7 | 500mL | ₹3303 | 2022-05-26 | Buy |
Benzotrichloride Chemical Properties,Uses,Production
Description
Exhaustive chlorination of the side-chain of toluene leads to benzotrichloride (trichloromethyl benzene, a,a,a-trichlorotoluene, phenyl chloroform) [98-07-7]. The compound was first synthesized in 1858 by L. SCHISCHKOFF and A. ROSING, using the reaction of PCl5 with benzoyl chloride. Benzotrichloride is now produced on a large scale, since it serves as an important intermediate in the preparation of acid chlorides (benzoyl chloride), dyes, herbicides, pesticides, and other products.
Physical properties
Benzotrichloride is a colorless liquid with a pungent odor and is irritating to the eyes and mucous membranes. It fumes in moist air.Benzotrichloride is freely soluble in alcohol, ether, and chloroform. It is only slightly soluble in water (0.05 g/L at 5 ℃, 0.25 g/L at 39 ℃). The solubility of chlorinein 100 g of benzotrichloride is 5.1 g at 30 ℃, 3.4 g at 50 ℃, 1.3 g at 100 ℃.
Chemical Properties
Benzotrichloride is a combustible, colorless to yellow-brown, oily liquid that fumes on contact with air. It has a penetrating odor.
Uses
α,α,α-Trichlorotoluene was used in determination of chlorinated toluenes in effluents of wastewater treatment plants and textile industries by closed loop stripping analysis.
Uses
Benzotrichloride is used mainly to produce benzoyl chloride, for which purpose it is either partially hydrolyzed with water or else reacted with benzoic acid. It is also of some significance in the production of pesticides (through transformation into benzotrifluoride), ultraviolet stabilizers, and dyes.
General Description
Benzotrichloride appears as a clear colorless to yellowish colored liquid with a penetrating odor. Denser than water and vapors are heavier than air. May be toxic by inhalation or ingestion. Burns skin, eyes, and mucous membranes. Insoluble in water. Used to make dyes and other chemicals.
Air & Water Reactions
Hydrolyzes in the presence of moisture. The reaction is rather slow due to low solubility in water.
Reactivity Profile
Benzotrichloride hydrolyzes in the presence of moisture. Benzotrichloride reacts with water, lime, ammonia, strong alkalis, organic amines, chlorates and acids.
Hazard
Highly toxic by inhalation, fumes highly irritant. Eye, skin, and upper respiratory tract irri- tant. Probable carcinogen.
Health Hazard
Toxic by inhalation; fumes are highly irritating to skin and mucous membranes. May cause death or permanent injury after very short exposure to small quantities. A suspected carcinogen.
Fire Hazard
Benzotrichloride may react violently with water. Fire may produce irritating or poisonous gases. Flammable/poisonous gases may accumulate in tanks and hopper cars. Materials may ignite combustibles (wood, paper, oil, etc.). Produces toxic and corrosive fumes when Benzotrichloride reacts with water or steam. Similar to hydrochloric acid; material will react with water or steam to produce toxic and corrosive fumes. Hydrolyzes in presence of water forming benzoic and hydrochloric acids.
Toxicology
The acute oral toxicity of benzotrichloride is 2180 mg/kg in male rats and 1590 mg/kg in female rats. The inhalative LC50s are higher than 600 mg/m3 in male rats and about 500 mg/m3 in female rats after a 4-h exposure. Benzotrichloride irritates the skin and eyes. The compound proved to be mutagenic in bacterial test systems. Dermal application of benzotrichloride resulted in elevated tumor incidence in mice.
Potential Exposure
Benzotrichloride is used as a chemical and dye intermediate; extensively used in the dye industry for the production of Malachite green, Rosamine, Quinoline red, and Alizarin yellow A. It can also be used to produce ethyl benzoate. Commercial grades may contain hydrochloric acid, benzylidene chloride, or benzyl chloride.
Carcinogenicity
Benzotrichloride is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals.
Shipping
UN2226 Benzotrichloride, Hazard class: 8; Labels: 8—Corrosive material.
Incompatibilities
Benzotrichloride decomposes on heating, on contact with acids and/or water, producing toxic and corrosive hydrogen chloride and benzoic acid. Reacts violently with strong oxidizers, iron and other metals, alkali and earth alkali metals; bases and organic substances, and may cause fire and explosions. On contact with air it emits toxic and corrosive hydrogen chloride. Attacks many metals in presence of water. Attacks many plastics.
Waste Disposal
Incineration with flammable solvent added in incinerator with afterburner and alkaline scrubber.
Benzotrichloride Preparation Products And Raw materials
Raw materials
Preparation Products
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| Supplier | Advantage |
|---|---|
| GLR Innovations | 58 |
| sheetalchemicals | 58 |
| Om Organic Chemicals | 58 |
| JSK Chemicals | 58 |
| Otto Chemie Pvt Ltd | 58 |
| LANXESS India Pvt. Ltd. | 58 |
| Pragna Group | 58 |
| Sima Chemicals (Sima Products) | 58 |
| Vivanta Laboratories Pvt Ltd | 58 |
| Cambay Organics Pvt Ltd | 58 |
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