Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzonitrile, 2-(chloromethyl)- (9CI)
RN: 612-13-5
InChIKey: ZSHNOXOGXHXLAV-UHFFFAOYSA-N

Molecular Formula

  • C8-H6-Cl-N

Molecular Weight

  • 151.595
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 2-(Chloromethyl)benzonitrile
  • 2-Cyanobenzyl chloride
  • 4-09-00-01707 (Beilstein Handbook Reference)
  • alpha-Chloro-o-tolunitrile
  • BRN 0742604
  • EINECS 210-292-3
  • NSC 102157
  • o-(Chloromethyl)benzonitrile
  • o-Cyanobenzylchloride
  • o-Tolunitrile, alpha-chloro-

Systematic Names

  • 2-(Chloromethyl)benzonitrile
  • Benzonitrile, 2-(chloromethyl)- (9CI)
  • o-Tolunitrile, alpha-chloro-

Registry Numbers

CAS Registry Number

  • 612-13-5

System Generated Number

  • 0000612135

Structure Descriptors

InChI

1S/C8H6ClN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2

InChIKey

ZSHNOXOGXHXLAV-UHFFFAOYSA-N

Smiles

N#Cc1c(CCl)cccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02570,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 61 deg C   EXP
Boiling Point 252 deg C   EXP
log P (octanol-water) 2.340 (none)   EST
Atmospheric OH Rate Constant 7.10E-13 cm3/molecule-sec 25 EST

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