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Substance Name: Benzotrichloride
RN: 98-07-7
UNII: U62VHG99AM
InChIKey: XEMRAKSQROQPBR-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-Cl3

Molecular Weight

  • 195.475
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • Ceiling (0.1 ppm); skin; Suspected human carcinogen
  • Overall Carcinogenic Evaluation: Group 2A
  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 10 lb
  • Threshold Planning Quantity (TPQ) = 100 lb

Names and Synonyms

Name of Substance

  • Benzotrichloride

Synonyms

  • 1-(Trichloromethyl)benzene
  • 4-05-00-00820 (Beilstein Handbook Reference)
  • AI3-02583
  • Benzene, (trichloromethyl)-
  • Benzenyl trichloride
  • Benzoic trichloride
  • Benzotrichloride
  • Benzotricloruro
  • Benzotricloruro [Spanish]
  • Benzyl trichloride
  • Benzylidyne chloride
  • BRN 0508152
  • CCRIS 1292
  • Chlorure de benzenyle
  • Chlorure de benzenyle [French]
  • Chlorure de benzylidyne
  • Chlorure de benzylidyne [French]
  • EC 202-634-5
  • EINECS 202-634-5
  • HSDB 2076
  • NSC 14663
  • Phenyl chloroform
  • Phenylchloroform
  • Phenyltrichloromethane
  • RCRA waste number U023
  • Toluene trichloride
  • Toluene, alpha,alpha,alpha,-trichloro-
  • Trichloormethylbenzeen
  • Trichloormethylbenzeen [Dutch]
  • Trichlormethylbenzol
  • Trichlormethylbenzol [German]
  • Trichloromethylbenzene
  • Trichlorophenylmethane
  • Triclorometilbenzene
  • Triclorometilbenzene [Italian]
  • Triclorotoluene
  • Triclorotoluene [Italian]
  • UNII-U62VHG99AM

Systematic Names

  • (Trichloromethyl)benzene
  • alpha,alpha,alpha-Trichlorotoluene
  • Benzene, (trichloromethyl)-
  • Toluene, alpha,alpha,alpha-trichloro-

Superlist Names

  • alpha,alpha,alpha-Trichlorotoluene
  • Benzene, (trichloromethyl)-
  • Benzoic trichloride
  • Benzotrichloride
  • Benzotrichloride [UN2226] [Corrosive]
  • RCRA waste no. U023
  • Toluene, alpha,alpha,alpha-trichloro-
  • UN2226

Registry Numbers

CAS Registry Number

  • 98-07-7

FDA UNII

  • U62VHG99AM

System Generated Number

  • 0000098077

Structure Descriptors

InChI

1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

InChIKey

XEMRAKSQROQPBR-UHFFFAOYSA-N

Smiles

c1(ccccc1)C(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 2150mg/kg (2150mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 130, Pg. 250, 1928.
mammal (species unspecified) LC50 inhalation 60mg/m3 (60mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(3), Pg. 6, 1986.
mammal (species unspecified) LD50 oral 1300mg/kg (1300mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(1), Pg. 92, 1975.
mouse LC50 inhalation 8ppm/2H (8ppm) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. Vol. 29, Pg. 73, 1982.
mouse LD50 oral 702mg/kg (702mg/kg)   Office of Toxic Substances Report. Vol. FYI-OTS-1180-0107,
rabbit LD50 skin 4gm/kg (4000mg/kg) BEHAVIORAL: EXCITEMENT

LIVER: OTHER CHANGES

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
Office of Toxic Substances Report. Vol. FYI-OTS-1180-0107,
rat LC50 inhalation 19ppm/2H (19ppm)   IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. Vol. 29, Pg. 73, 1982.
rat LC50 inhalation 19ppm/2H (19ppm) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. Vol. 29, Pg. 73, 1982.
rat LD50 oral 6gm/kg (6000mg/kg)   IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. Vol. 29, Pg. 73, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.00E+00 deg C   EXP
Boiling Point 221 deg C   EXP
log P (octanol-water) 3.900 (none)   EST
Water Solubility 53 mg/L 5 EXP
Henry's Law Constant 2.60E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.57E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.