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Substance Name: Benzene, 1-iodo-3-nitro-
RN: 645-00-1
InChIKey: CBYAZOKPJYBCHE-UHFFFAOYSA-N

Molecular Formula

  • C6-H4-I-N-O2

Molecular Weight

  • 249.003
 
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Names and Synonyms

Synonyms

  • 1-Iodo-3-nitrobenzene
  • 3-Iodonitrobenzene
  • AI3-15390
  • Benzene, 1-iodo-3-nitro-
  • EINECS 211-427-9
  • m-Iodonitrobenzene
  • NSC 3538

Systematic Names

  • 1-Iodo-3-nitrobenzene
  • Benzene, 1-iodo-3-nitro-

Registry Numbers

CAS Registry Number

  • 645-00-1

System Generated Number

  • 0000645001

Structure Descriptors

InChI

1S/C6H4INO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H

InChIKey

CBYAZOKPJYBCHE-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)I)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 38.5 deg C   EXP
Boiling Point 280 deg C   EXP
log P (octanol-water) 2.94 (none)   EXP
Water Solubility 30.1 mg/L 25 EST
Vapor Pressure 1.74E-03 mm Hg 25 EST
Henry's Law Constant 4.93E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.12E-13 cm3/molecule-sec 25 EST

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