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Substance Name: o-Nitrobenzyl chloride
RN: 612-23-7
UNII: HB8U484NPM
InChIKey: BXCBUWKTXLWPSB-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H6-Cl-N-O2

Molecular Weight

  • 171.582
 
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Names and Synonyms

Name of Substance

  • o-Nitrobenzyl chloride

Synonyms

  • 1-(Chloromethyl)-2-nitrobenzene
  • 2-Nitrobenzyl chloride
  • 4-05-00-00854 (Beilstein Handbook Reference)
  • alpha-Chloro-o-nitrotoluene
  • BRN 0388396
  • CCRIS 2323
  • EINECS 210-300-5
  • NSC 66500
  • o-Nitrobenzyl chloride
  • Toluene, alpha-chloro-o-nitro-
  • UNII-HB8U484NPM

Systematic Names

  • alpha-Chloro-2-nitrotoluene
  • Benzene, 1-(chloromethyl)-2-nitro-
  • Benzene, 1-(chloromethyl)-2-nitro- (9CI)
  • o-Nitrobenzyl chloride
  • Toluene, alpha-chloro-o-nitro-

Registry Numbers

CAS Registry Number

  • 612-23-7

FDA UNII

  • HB8U484NPM

System Generated Number

  • 0000612237

Structure Descriptors

InChI

1S/C7H6ClNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2

InChIKey

BXCBUWKTXLWPSB-UHFFFAOYSA-N

Smiles

c1(c(cccc1)[N+](=O)[O-])CCl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 51 deg C   EXP
log P (octanol-water) 2.610 (none)   EST
Atmospheric OH Rate Constant 6.06E-13 cm3/molecule-sec 25 EST

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