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Substance Name: 2-Biphenylol, 3,5-dinitro-
RN: 731-92-0
InChIKey: HXNGWMWUICJCDR-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C12-H8-N2-O5

Molecular Weight

  • 260.204
 
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Names and Synonyms

Synonyms

  • 2,4-Dinitro-6-phenylphenol
  • 3,5-Dinitro-2-biphenylol
  • 3-06-00-03309 (Beilstein Handbook Reference)
  • 4,6-Dinitro-o-phenylphenol
  • AI3-17432
  • BRN 2292615
  • NSC 2880
  • Phenol, 2,4-dinitro-6-phenyl-

Systematic Names

  • (1,1'-Biphenyl)-2-ol, 3,5-dinitro- (9CI)
  • 2-Biphenylol, 3,5-dinitro-

Registry Numbers

CAS Registry Number

  • 731-92-0

System Generated Number

  • 0000731920

Structure Descriptors

InChI

1S/C12H8N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h1-7,15H

InChIKey

HXNGWMWUICJCDR-UHFFFAOYSA-N

Smiles

c1(c2ccccc2)c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 7800ug/kg (7.8mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 47, 1952.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 3.848 (none) 25 EXP
log P (octanol-water) 3.490 (none)   EST
Water Solubility 21.7 mg/L 25 EST
Vapor Pressure 6.75E-09 mm Hg 25 EST
Henry's Law Constant 2.12E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.94E-12 cm3/molecule-sec 25 EST

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