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Substance Name: Benzyl chloride
RN: 100-44-7
UNII: 83H19HW7K6
InChIKey: KCXMKQUNVWSEMD-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-Cl

Molecular Weight

  • 126.5853
 

Classification Codes

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2A
  • Reportable Quantity (RQ) = 100 lb
  • Threshold Planning Quantity (TPQ) = 500 lb
  • TWA (1 ppm); Confirmed animal carcinogen with unknown relevance to humans
  • TWA 1 ppm (5 mg/m3)

Names and Synonyms

Name of Substance

  • Benzyl chloride

Synonyms

  • AI3-15518
  • alpha-Chlorotoluene
  • alpha-Chlortoluol
  • alpha-Chlortoluol [German]
  • Benzene, (chloromethyl)-
  • Benzile (cloruro di)
  • Benzile (cloruro di) [Italian]
  • Benzyl chloride
  • Benzylchlorid
  • Benzylchlorid [German]
  • Benzylchloride
  • Benzyle (chlorure de)
  • Benzyle (chlorure de) [French]
  • CCRIS 79
  • Chloromethylbenzene
  • Chlorophenylmethane
  • Chlorure de benzyle
  • Chlorure de benzyle [French]
  • EC 202-853-6
  • EINECS 202-853-6
  • HSDB 368
  • NCI-C06360
  • NSC 8043
  • RCRA waste number P028
  • Toluene, alpha-chloro-
  • Tolyl chloride
  • UNII-83H19HW7K6

Systematic Names

  • (Chloromethyl)benzene
  • alpha-Chlorotoluene
  • Benzene, (chloromethyl)-
  • Benzyl chloride
  • Toluene, alpha-chloro-

Superlist Names

  • alpha-Chlorotoluene
  • Benzene, chloromethyl-
  • Benzyl chloride
  • Benzyl chloride [UN1738] [Poison]
  • Benzyl chloride, unstabilized
  • Benzyl chloride, unstabilized [UN1738] [Poison, Corrosive]
  • RCRA waste no. P028
  • Toluene, alpha-chloro-
  • UN1738

Registry Numbers

CAS Registry Number

  • 100-44-7

FDA UNII

  • 83H19HW7K6

System Generated Number

  • 0000100447

Structure Descriptors

InChI

1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

KCXMKQUNVWSEMD-UHFFFAOYSA-N

Smiles

c1(ccccc1)CCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 400ppm/8H (400ppm) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE

LUNGS, THORAX, OR RESPIRATION: COUGH		 National Technical Information Service. Vol. OTS0572390,
guinea pig LDLo skin 10mL/kg (10mL/kg)   National Technical Information Service. Vol. OTS0572390,
mammal (species unspecified) LC50 inhalation 390mg/m3 (390mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(3), Pg. 6, 1986.
mammal (species unspecified) LD50 oral 1500mg/kg (1500mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(1), Pg. 92, 1975.
mouse LC50 inhalation 80ppm/2H (80ppm) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. Vol. 11, Pg. 217, 1976.
mouse LD50 oral 1500mg/kg (1500mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 25, 1982.
mouse LD50 unreported 780mg/kg (780mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(3), Pg. 11, 1979.
rat LC50 inhalation 150ppm/2H (150ppm) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. Vol. 11, Pg. 217, 1976.
rat LD50 oral 1231mg/kg (1231mg/kg)   National Technical Information Service. Vol. PB214-270,
rat LD50 subcutaneous 1gm/kg (1000mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 74, Pg. 241, 1970.
rat LD50 unreported 625mg/kg (625mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(3), Pg. 11, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.50E+01 deg C   EXP
Boiling Point 179 deg C   EXP
log P (octanol-water) 2.3 (none)   EXP
Water Solubility 525 mg/L 25 EXP
Vapor Pressure 1.23 mm Hg 25 EXP
Henry's Law Constant 4.12E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.90E-12 cm3/molecule-sec 25 EXP

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