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Substance Name: 4-Nitrobenzyl bromide
RN: 100-11-8
UNII: QCHRSPCHUE
InChIKey: VOLRSQPSJGXRNJ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H6-Br-N-O2

Molecular Weight

  • 216.033
 
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Names and Synonyms

Name of Substance

  • 4-Nitrobenzyl bromide

Synonyms

  • 4-(Bromomethyl)nitrobenzene
  • 4-Nitrobenzyl bromide
  • AI3-08875
  • alpha-Bromo-4-nitrotoluene
  • alpha-Bromo-p-nitrotoluene
  • alpha-Bromoparanitrotoluene
  • Benzene, 1-(bromomethyl)-4-nitro-
  • CCRIS 7961
  • EINECS 202-820-6
  • Nitrobenzyl bromide
  • NSC 4609
  • p-(Bromomethyl)nitrobenzene
  • p-Nitrobenzyl bromide
  • Toluene, alpha-bromo-4-nitro-
  • UNII-QCHRSPCHUE

Systematic Names

  • alpha-Bromo-4-nitrotoluene
  • Benzene, 1-(bromomethyl)-4-nitro-
  • p-Nitrobenzyl bromide
  • Toluene, alpha-bromo-p-nitro-

Registry Numbers

CAS Registry Number

  • 100-11-8

FDA UNII

  • QCHRSPCHUE

System Generated Number

  • 0000100118

Structure Descriptors

InChI

1S/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2

InChIKey

VOLRSQPSJGXRNJ-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)CBr)[N+](=O)[O-]

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#07695,