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Substance Name: Benzene, chloromethyl-
RN: 25168-05-2
InChIKey: KCXMKQUNVWSEMD-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-Cl

Molecular Weight

  • 126.5853
 
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Names and Synonyms

Synonyms

  • 4-05-00-00809 (Beilstein Handbook Reference)
  • BC
  • BRN 0471308
  • Chloromethylbenzene
  • Chlorotoluene
  • EINECS 246-698-2
  • Oxsol 10

Systematic Names

  • Benzene, chloromethyl-
  • Chlorotoluene
  • Toluene, ar-chloro-

Superlist Names

  • Benzene, chloromethyl-
  • Chlorotoluene
  • Toluene, ar-chloro-

Registry Numbers

CAS Registry Number

  • 25168-05-2

Other Registry Number

  • 27987-13-9

System Generated Number

  • 0025168052

Structure Descriptors

InChI

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

InChIKey

KCXMKQUNVWSEMD-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 5400uL/kg (5.4mL/kg)   "Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 5, Pg. 819, 1979.
mammal (species unspecified) LC50 inhalation 48gm/m3 (48000mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(3), Pg. 6, 1986.
mouse LD50 oral 3400uL/kg (3.4mL/kg)   "Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 5, Pg. 819, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.790 (none)   EST
Water Solubility 20 mg/L   EXP
Vapor Pressure 0.788 mm Hg 25 EST
Henry's Law Constant 2.09E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.37E-12 cm3/molecule-sec 25 EST

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