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Substance Name: 2-Nitro-1,1-bis(p-chlorophenyl)propane
RN: 117-27-1
UNII: 4C95248UY0
InChIKey: JCWVUDIGEJLVPS-UHFFFAOYSA-N

Molecular Formula

  • C15-H13-Cl2-N-O2

Molecular Weight

  • 310.179
 
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Names and Synonyms

Name of Substance

  • 2-Nitro-1,1-bis(p-chlorophenyl)propane

Synonyms

  • 1,1'-(2-Nitropropylidene)bis(4-chlorobenzene)
  • 1,1-Bis(4-chlorophenyl)-2-nitropropane
  • 1,1-Bis(p-chlorophenyl)-2-nitropropane
  • 2-Nitro-1,1-bis(p-chlorophenyl)propane
  • 4-05-00-01923 (Beilstein Handbook Reference)
  • AI3-22784
  • BRN 1992528
  • CS 645A
  • DNP
  • ENT 22,784
  • Prolan
  • Prolan (insecticide)
  • UNII-4C95248UY0

Systematic Names

  • Benzene, 1,1'-(2-nitropropylidene)bis(4-chloro-
  • Propane, 1,1-bis(p-chlorophenyl)-2-nitro-

Registry Numbers

CAS Registry Number

  • 117-27-1

FDA UNII

  • 4C95248UY0

System Generated Number

  • 0000117271

Structure Descriptors

InChI

1S/C15H13Cl2NO2/c1-10(18(19)20)15(11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-10,15H,1H3

InChIKey

JCWVUDIGEJLVPS-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 25, Pg. 859, 1977.
rat LD50 oral 750mg/kg (750mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 1043, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.990 (none)   EST
Water Solubility 0.240 mg/L 25 EST
Vapor Pressure 1.28E-06 mm Hg 25 EST
Henry's Law Constant 2.66E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.72E-12 cm3/molecule-sec 25 EST

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