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Substance Name: 4-Nitrobiphenyl ether
RN: 620-88-2
UNII: 6SV296C6QI
InChIKey: JDTMUJBWSGNMGR-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C12-H9-N-O3

Molecular Weight

  • 215.207
 
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Names and Synonyms

Name of Substance

  • 4-Nitrobiphenyl ether

Synonyms

  • 1-Nitro-4-phenoxybenzene
  • 4-06-00-01287 (Beilstein Handbook Reference)
  • 4-Nitrobiphenyl ether
  • 4-Nitrodifenylether
  • 4-Nitrodifenylether [Czech]
  • 4-Nitrodiphenyl ether
  • 4-Nitrophenyl phenyl ether
  • AI3-09331
  • BRN 2051911
  • CCRIS 1947
  • EINECS 210-656-1
  • Ether, 4-nitrophenyl phenyl
  • NSC 5420
  • NSC 57080
  • p-Nitrodiphenyl ether
  • p-Nitrophenyl phenyl ether
  • p-Nitrophenyl phenylether
  • Phenyl, 4'-nitrophenyl ether
  • UNII-6SV296C6QI

Systematic Names

  • 4-Nitrodiphenyl ether
  • 4-Nitrophenyl phenyl ether
  • Benzene, 1-nitro-4-phenoxy-
  • Ether, 4-nitrophenyl phenyl
  • Ether, p-nitrophenyl phenyl (8CI)

Registry Numbers

CAS Registry Number

  • 620-88-2

FDA UNII

  • 6SV296C6QI

System Generated Number

  • 0000620882

Structure Descriptors

InChI

1S/C12H9NO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H

InChIKey

JDTMUJBWSGNMGR-UHFFFAOYSA-N

Smiles

c1(Oc2ccccc2)ccc([N+](=O)[O-])cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 61 deg C   EXP
Boiling Point 320 deg C   EXP
log P (octanol-water) 3.92 (none)   EXP
Water Solubility 6.680 mg/L 25 EST
Vapor Pressure 3.80E-05 mm Hg 25 EST
Henry's Law Constant 4.65E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.34E-12 cm3/molecule-sec 25 EST

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