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Substance Name: beta-Nitrostyrene
RN: 102-96-5
InChIKey: PIAOLBVUVDXHHL-VOTSOKGWSA-N

Molecular Formula

  • C8-H7-N-O2

Molecular Weight

  • 149.148
 
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Names and Synonyms

Name of Substance

  • beta-Nitrostyrene

Synonyms

  • (2-Nitrovinyl)benzene
  • 1-Phenyl-2-nitroethene
  • 2-Nitro-1-phenylethylene
  • 3-05-00-01180 (Beilstein Handbook Reference)
  • AI3-16827
  • beta-Nitrostyrene
  • beta-Nitrosytrene
  • BNS
  • BRN 2042432
  • CCRIS 482
  • EINECS 203-066-0
  • HSDB 8046
  • NCI-C02211
  • NSC 9809

Systematic Names

  • Benzene, (2-nitroethenyl)-
  • beta-Nitrostyrene
  • Styrene, beta-nitro-

Superlist Name

  • beta-Nitrostyrene

Registry Numbers

CAS Registry Number

  • 102-96-5

System Generated Number

  • 0000102965

Structure Descriptors

InChI

1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+

InChIKey

PIAOLBVUVDXHHL-VOTSOKGWSA-N

Smiles

c1(\C=C\[N+](=O)[O-])ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 710mg/kg (710mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.11 (none)   EXP
Water Solubility 492 mg/L 25 EST
Vapor Pressure 0.015 mm Hg 25 EST
Henry's Law Constant 3.48E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.32E-11 cm3/molecule-sec 25 EST

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