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Substance Name: Styrene, p-chloro-beta-nitro-
RN: 706-07-0
InChIKey: GLJATYFHELDGEA-AATRIKPKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H6-Cl-N-O2

Molecular Weight

  • 183.593
 
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Names and Synonyms

Synonyms

  • 3-05-00-01181 (Beilstein Handbook Reference)
  • 4-Chloro-beta-nitrostyrene
  • BRN 2208373
  • NSC 2547
  • p-Chloro-beta-nitro-styrene
  • p-Cloro-beta-nitrostirene
  • p-Cloro-beta-nitrostirene [Italian]

Systematic Names

  • Benzene, 1-chloro-4-(2-nitroethenyl)- (9CI)
  • Styrene, p-chloro-beta-nitro-

Registry Numbers

CAS Registry Number

  • 706-07-0

System Generated Number

  • 0000706070

Structure Descriptors

InChI

1S/C8H6ClNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H/b6-5+

InChIKey

GLJATYFHELDGEA-AATRIKPKSA-N

Smiles

[N+](\C=C\c1ccc(cc1)Cl)([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 387mg/kg (387mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.
mouse LDLo intraperitoneal 15mg/kg (15mg/kg)   Bollettino Chimico Farmaceutico. Vol. 100, Pg. 93, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.44 (none)   EXP
Water Solubility 178 mg/L 25 EST
Vapor Pressure 2.53E-03 mm Hg 25 EST
Henry's Law Constant 2.57E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.27E-11 cm3/molecule-sec 25 EST

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