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Substance Name: 4,4'-Dinitrobiphenyl
RN: 1528-74-1
UNII: 6X8N704C9U
InChIKey: BDLNCFCZHNKBGI-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C12-H8-N2-O4

Molecular Weight

  • 244.205
 
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Names and Synonyms

Name of Substance

  • 4,4'-Dinitrobiphenyl

Synonyms

  • 1,1'-Biphenyl, 4,4'-dinitro-
  • 4,4'-Dinitrobifenyl
  • 4,4'-Dinitrobifenyl [Czech]
  • 4,4'-Dinitrobiphenyl
  • 4,4'-Dinitrodiphenyl
  • 4-05-00-01827 (Beilstein Handbook Reference)
  • AI3-01806
  • Biphenyl, 4,4'-dinitro-
  • BRN 1882826
  • CCRIS 3375
  • EINECS 216-210-2
  • HSDB 5526
  • NSC 8738
  • UNII-6X8N704C9U

Systematic Names

  • 1,1'-Biphenyl, 4,4'-dinitro-
  • 4,4'-Dinitrobiphenyl
  • Biphenyl, 4,4'-dinitro-

Registry Numbers

CAS Registry Number

  • 1528-74-1

FDA UNII

  • 6X8N704C9U

System Generated Number

  • 0001528741

Structure Descriptors

InChI

1S/C12H8N2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H

InChIKey

BDLNCFCZHNKBGI-UHFFFAOYSA-N

Smiles

c1(c2ccc([N+](=O)[O-])cc2)ccc([N+](=O)[O-])cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.390 (none)   EST
Water Solubility 13.2 mg/L 25 EST
Henry's Law Constant 6.44E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.24E-13 cm3/molecule-sec 25 EST

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