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| CAS No.: | 98-07-7 |
|---|---|
| Name: | alpha,alpha,alpha-Trichlorotoluene |
| Article Data: | 59 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H5Cl3 |
| Molecular Weight: | 195.476 |
| Synonyms: | Toluene, a,a,a-trichloro- (8CI);(Trichloromethyl)benzene;1-(Trichloromethyl)benzene;Benzenyl chloride;Benzenyl trichloride;Benzotrichloride;Benzyl trichloride;Benzylidyne chloride;NSC 14663;Phenylchloroform;Phenyltrichloromethane;Toluene trichloride;Trichlorophenylmethane;a,a,a-Trichlorotoluene;w,w,w-Trichlorotoluene; |
| EINECS: | 202-634-5 |
| Density: | 1.388 g/cm3 |
| Melting Point: | -7.5 °C |
| Boiling Point: | 213.5 °C at 760 mmHg |
| Flash Point: | 133.2 °C |
| Solubility: | hydrolyses in water |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 T
|
| Risk Codes: | 45-22-23-37/38-41 |
| Safety: | 53-45 |
| Transport Information: | UN 2226 8/PG 2 |
| PSA: | 0.00000 |
| LogP: | 3.51330 |
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Chemistry
Molecular Formula: C7H5Cl3
Molar mass: 195.47 g/mol
EINECS: 202-634-5
Density: 1.388 g/cm3
Flash Point: 133.2 °C
Index of Refraction: 1.556
Boiling Point: 213.5 °C at 760 mmHg
Vapour Pressure: 0.239 mmHg at 25°C
Melting point: -7.5--7 °C(lit.)
Water solubility: Hydrolysis
Sensitive: Moisture Sensitive
Appearance: A clear colorless to yellowish colored liquid with a penetrating odor
Product categories: Intermediates of Dyes and Pigments
Structure of Benzotrichloride (CAS NO.98-07-7):
XLogP3-AA: 3.7
H-Bond Donor: 0
H-Bond Acceptor: 0
IUPAC Name: Trichloromethylbenzene
Canonical SMILES: C1=CC=C(C=C1)C(Cl)(Cl)Cl
InChI: InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKey: XEMRAKSQROQPBR-UHFFFAOYSA-N
Uses
Benzotrichloride (CAS NO.98-07-7) has been used as organic synthesis intermediate.And it can be used in manufacture of Benzoic acid , Benzoyl chloride , 3-Phenyl-methane dyes , Anthraquinone dyes and Quinoline dyes. As well as it is used for the production of UV-absorbent and analyzing chemical reagent.
Toxicity Data With Reference
Carcinogenicity of Benzotrichloride (CAS NO.98-07-7):ACGIH: A2 - Suspected Human Carcinogen California: carcinogen, initial date 7/1/87 NTP: Suspect carcinogen IARC: Group 2A carcinogen .And its toxicological properties have not been fully investigated.You can see actual entry in RTECS for complete information.
Safety Profile
Hazard Codes: 
T
Risk Statements:45-22-23-37/38-41
R22:Harmful if swallowed.
R23 :Toxic by inhalation.
R37:Irritating to respiratory system
R38:Irritating to skin.
R41:Risk of serious damage to the eyes.
R45:May cause cancer.
Safety Statements:53-45
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.
Specification
Benzotrichloride ,its cas register number is 98-07-7.It also can be called alpha,alpha,alpha-Trichlorotoluene ; Benzene, (trichloromethyl)- ; (Trichlorométhyl)benzène and (Trichlormethyl)benzol .
Benzotrichloride (CAS NO.98-07-7) is hazardous,so the first aid measures and others should be known.Such as: When on the skin: first,should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly,Get shoesmedical aid . Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.Then get medical aid soon.While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : Wash mouth out with water,and get medical aid immediately.
In addition, Benzotrichloride (CAS NO.98-07-7) is not compatible with strong oxidizing agents, and not be exposured to moist air or water.And also prevent it to broken down into hazardous decomposition products: hydrogen chloride, phosgene, carbon monoxide, carbon dioxide.