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Substance Name: Thiophene, 2-nitro-
RN: 609-40-5
InChIKey: JIZRGGUCOQKGQD-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C4-H3-N-O2-S

Molecular Weight

  • 129.139
 
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Names and Synonyms

Synonyms

  • 2-Nitrothiophene
  • AI3-16618
  • EINECS 210-190-9
  • NSC 5371

Systematic Names

  • 2-Nitrothiophene
  • Thiophene, 2-nitro-

Registry Numbers

CAS Registry Number

  • 609-40-5

System Generated Number

  • 0000609405

Structure Descriptors

InChI

1S/C4H3NO2S/c6-5(7)4-2-1-3-8-4/h1-3H

InChIKey

JIZRGGUCOQKGQD-UHFFFAOYSA-N

Smiles

c1([N+](=O)[O-])cccs1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 46.5 deg C   EXP
Boiling Point 224.5 deg C   EXP
log P (octanol-water) 1.55 (none)   EXP
Water Solubility 1790 mg/L 25 EST
Vapor Pressure 0.114 mm Hg 25 EST
Henry's Law Constant 1.16E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.19E-12 cm3/molecule-sec 25 EST

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