| Identification | More | [Name]
Benzotrichloride | [CAS]
98-07-7 | [Synonyms]
1-(trichloromethyl)benzene
A,A,A-TRICHLOROTOLUENE
ALPHA,ALPHA,ALPHA-TRICHLOROTOLUENE
BENZOTRICHLORIDE
BENZYLIDYNE TRICHLORIDE
BENZYLTRICHLORIDE
PHENYLCHLOROFORM
(TRICHLOROMETHYL)BENZENE
α，α，α-Trichlorotoluene
(trichloromethyl)-benzen
ai3-02583
alpha,alpha,alpha-Trichloromethylbenzene
alpha,alpha,alpha-trichloro-toluen
Benzene,(trichloromethyl)-
Benzenyl chloride
Benzenyl trichloride
benzenylchloride
benzenyltrichloride
Benzoic trichloride
benzoictrichloride | [EINECS(EC#)]
202-634-5 | [Molecular Formula]
C7H5Cl3 | [MDL Number]
MFCD00000786 | [Molecular Weight]
195.47 | [MOL File]
98-07-7.mol |
| Chemical Properties | Back Directory | [Appearance]
Benzotrichloride is a combustible, colorless to
yellow-brown, oily liquid that fumes on contact with air. It
has a penetrating odor. | [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 ]
n20/D 1.557(lit.)
| [Fp ]
207 °F
| [storage temp. ]
room temp | [solubility ]
alcohol: soluble | [form ]
Liquid | [color ]
Clear yellow | [Odor]
penetrating odor | [Stability:]
Stable, but moisture sensitive. Incompatible with strong oxidizing agents, moisture. | [Water Solubility ]
HYDROLYSIS | [Sensitive ]
Moisture Sensitive | [Merck ]
14,1109 | [BRN ]
508152 | [Dielectric constant]
7.4（20℃） | [Exposure limits]
ACGIH: Ceiling 0.1 ppm (Skin) | [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]
98-07-7(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
R45:May cause cancer.
R22:Harmful if swallowed.
R23:Toxic by inhalation.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes. | [Safety Statements ]
S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 2226 8/PG 2
| [WGK Germany ]
3
| [RTECS ]
XT9275000
| [Autoignition Temperature]
411 °F | [TSCA ]
Yes | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29039990 | [Hazardous Substances Data]
98-07-7(Hazardous Substances Data) | [Toxicity]
LD50 orally in rats: 6.0 g/kg (Smyth) |
| Hazard Information | Back Directory | [General Description]
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. | [Reactivity Profile]
BENZOTRICHLORIDE(98-07-7) hydrolyzes in the presence of moisture. BENZOTRICHLORIDE(98-07-7) reacts with water, lime, ammonia, strong alkalis, organic amines, chlorates and acids. | [Air & Water Reactions]
Hydrolyzes in the presence of moisture. The reaction is rather slow due to low solubility in water. | [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. | [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. | [Fire Hazard]
This material 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. | [First aid]
If this chemical gets into the eyes, remove any
contact lenses at once and irrigate immediately for at least
15 minutes, occasionally lifting upper and lower lids. Seek
medical attention immediately. If this chemical contacts
the skin, remove contaminated clothing and wash immediately
with soap and water. Seek medical attention immediately.
If this chemical has been inhaled, remove from
exposure, begin rescue breathing (using universal precautions,
including resuscitation mask) if breathing has
stopped and CPR if heart action has stopped. Transfer
promptly to a medical facility. When this chemical has
been swallowed, get medical attention. If victim is conscious,
administer water or milk. Do not induce vomiting.
Medical observation is recommended for 24 to 48 hours
after breathing overexposure, as pulmonary edema may be
delayed. As first aid for pulmonary edema, a doctor or
authorized paramedic may consider administering a drug
or other inhalation therapy. | [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. | [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. | [Chemical Properties]
colourless liquid | [Waste Disposal]
Incineration with flammable
solvent added in incinerator with afterburner and alkaline
scrubber. | [Uses]
Chemical intermediate primarily in
benzoyl chloride production; dye intermediate | [Uses]
In dye chemistry. In organic syntheses (source of benzenyl group). | [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. | [Definition]
ChEBI: (trichloromethyl)benzene is an organochlorine compound that is toluene in which all three hydrogens of the methyl group have been replaced by chlorines. It is used as an intermediate in organic synthesis and dye chemistry. It has a role as a carcinogenic agent. It is a member of benzenes, a volatile organic compound and an organochlorine compound. | [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. | [Carcinogenicity]
Benzotrichloride is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals. | [storage]
(1) Color Code—White: Corrosive or ContactHazard; Store separately in a corrosion-resistant location.(2) Color Code—Blue: Health Hazard/Poison: Store in asecure poison location. Before entering confined spacewhere benzotrichloride may be present, check to make surethat an explosive concentration does not exist. Store intightly closed containers in a dark, cool, well-ventilatedarea. Metal containers involving the transfer of this chemical should be grounded and bonded. Where possible, automatically pump liquid from drums or other storagecontainers to process containers. Drums must be equippedwith self-closing valves, pressure vacuum bungs, and flamearresters. Use only nonsparking tools and equipment, especially when opening and closing containers of this chemical. Sources of ignition, such as smoking and open flames,are prohibited where this chemical is used, handled, orstored in a manner that could create a potential fire orexplosion hazard. A regulated, marked area should be established where this chemical is handled, used, or stored incompliance with OSHA Standard 1910.1045. |
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