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Substance Name: Benzeneacetonitrile, 4-bromo-
RN: 16532-79-9
InChIKey: MFHFWRBXPQDZSA-UHFFFAOYSA-N

Classification Code

  • TSCA Flag T (Subject to the Section 4 Test Rule under TSCA)

Molecular Formula

  • C8-H6-Br-N

Molecular Weight

  • 196.046
 
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Names and Synonyms

Synonyms

  • 2-(4-Bromophenyl)acetonitrile
  • 4-09-00-01683 (Beilstein Handbook Reference)
  • 4-Bromobenzeneacetonitrile
  • 4-Bromobenzyl cyanide
  • 4-Bromobenzylcyanide
  • 4-Bromophenylacetonitrile
  • BRN 1861069
  • EINECS 240-602-2
  • NSC 84174
  • p-Bromobenzyl cyanide
  • p-Bromobenzylcyanide
  • p-Bromophenylacetonitrile

Systematic Names

  • 4-Bromophenylacetonitrile
  • Acetonitrile, (p-bromophenyl)-
  • Benzeneacetonitrile, 4-bromo-

Registry Numbers

CAS Registry Number

  • 16532-79-9

System Generated Number

  • 0016532799

Structure Descriptors

InChI

1S/C8H6BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2

InChIKey

MFHFWRBXPQDZSA-UHFFFAOYSA-N

Smiles

c1(ccc(Br)cc1)CC#N

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#03252,