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Substance Name: 2-Bromobenzyl cyanide
RN: 19472-74-3
UNII: S3GF4DI9A8
InChIKey: BVCOJESIQPNOIF-UHFFFAOYSA-N

Molecular Formula

  • C8-H6-Br-N

Molecular Weight

  • 196.046
 
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Names and Synonyms

Name of Substance

  • 2-Bromobenzyl cyanide

Synonyms

  • 2-Bromobenzyl cyanide
  • EINECS 243-091-4
  • NSC 338412
  • UNII-S3GF4DI9A8

Systematic Names

  • (2-Bromophenyl)acetonitrile
  • Benzeneacetonitrile, 2-bromo-

Superlist Name

  • o-Bromobenzyl cyanide

Registry Numbers

CAS Registry Number

  • 19472-74-3

FDA UNII

  • S3GF4DI9A8

System Generated Number

  • 0019472743

Structure Descriptors

InChI

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

InChIKey

BVCOJESIQPNOIF-UHFFFAOYSA-N

Smiles

c1(c(cccc1)Br)CC#N

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 1 deg C   EXP
log P (octanol-water) 2.450 (none)   EST
Atmospheric OH Rate Constant 9.04E-13 cm3/molecule-sec 25 EST

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