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Substance Name: Thiophene, 2-(2-nitroethenyl)- (9CI)
RN: 874-84-0
InChIKey: UTPOWFFIBWOQRK-ONEGZZNKSA-N

Molecular Formula

  • C6-H5-N-O2-S

Molecular Weight

  • 155.176
 
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Names and Synonyms

Synonyms

  • 1-(2-Thienyl)-2-nitroethene
  • 2-(2-Nitroethenyl)thiophene
  • 2-(2-Nitrovinyl)thiophene
  • 2-Thienylnitroethylene
  • EINECS 212-867-4
  • NSC 22059

Systematic Names

  • 2-(2-Nitrovinyl)thiophene
  • Thiophene, 2-(2-nitroethenyl)- (9CI)
  • Thiophene, 2-(2-nitrovinyl)-

Registry Numbers

CAS Registry Number

  • 874-84-0

System Generated Number

  • 0000874840

Structure Descriptors

InChI

1S/C6H5NO2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5H/b4-3+

InChIKey

UTPOWFFIBWOQRK-ONEGZZNKSA-N

Smiles

[N+](\C=C\c1sccc1)([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 315mg/kg (315mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.96 (none)   EXP
Water Solubility 621 mg/L 25 EST
Vapor Pressure 8.27E-03 mm Hg 25 EST
Henry's Law Constant 1.89E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.04E-11 cm3/molecule-sec 25 EST

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