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Substance Name: 2-Nitrophenylacetonitrile
RN: 610-66-2
UNII: 7859F455K6
InChIKey: YPRFCQAWSNWRLM-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H6-N2-O2

Molecular Weight

  • 162.147
 
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Names and Synonyms

Name of Substance

  • 2-Nitrophenylacetonitrile

Synonyms

  • (2-Nitrophenyl)acetonitrile
  • (o-Nitrophenyl)acetonitrile
  • 2-Nitrobenzeneacetonitrile
  • 2-Nitrobenzyl nitrile
  • 3-09-00-02283 (Beilstein Handbook Reference)
  • Benzeneacetonitrile, 2-nitro-
  • BRN 1869400
  • CCRIS 4681
  • EINECS 210-231-0
  • NSC 99338
  • o-Nitrobenzacetonitrile
  • o-Nitrophenylacetonitrile
  • UNII-7859F455K6

Systematic Names

  • 2-Nitrophenylacetonitrile
  • Acetonitrile, (o-nitrophenyl)-
  • Benzeneacetonitrile, 2-nitro-
  • o-Nitrophenyl acetonitrile

Registry Numbers

CAS Registry Number

  • 610-66-2

FDA UNII

  • 7859F455K6

System Generated Number

  • 0000610662

Structure Descriptors

InChI

1S/C8H6N2O2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5H2

InChIKey

YPRFCQAWSNWRLM-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 84 deg C   EXP
log P (octanol-water) 1.380 (none)   EST
Atmospheric OH Rate Constant 4.14E-13 cm3/molecule-sec 25 EST

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