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Substance Name: Benzene, 1-isocyanato-2-nitro-
RN: 3320-86-3
InChIKey: JRVZITODZAQRQM-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-N2-O3

Molecular Weight

  • 164.12
 
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Names and Synonyms

Synonyms

  • 2-Nitrophenyl isocyanate
  • AI3-28252
  • EINECS 222-024-2
  • Isocyanic acid, o-nitrophenyl ester
  • NSC 5384
  • o-Nitrophenyl isocyanate

Systematic Names

  • 2-Nitrophenyl isocyanate
  • Benzene, 1-isocyanato-2-nitro-

Registry Numbers

CAS Registry Number

  • 3320-86-3

System Generated Number

  • 0003320863

Structure Descriptors

InChI

1S/C7H4N2O3/c10-5-8-6-3-1-2-4-7(6)9(11)12/h1-4H

InChIKey

JRVZITODZAQRQM-UHFFFAOYSA-N

Smiles

O=C=Nc1c([N+]([O-])=O)cccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 41 deg C   EXP
log P (octanol-water) 2.990 (none)   EST
Atmospheric OH Rate Constant 1.87E-13 cm3/molecule-sec 25 EST

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