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Substance Name: 5-Nitrofuryl-2-acrolein
RN: 1874-22-2
InChIKey: DXWCZMGIIFEEPU-OWOJBTEDSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H5-N-O4

Molecular Weight

  • 167.1195
 
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Names and Synonyms

Name of Substance

  • 5-Nitrofuryl-2-acrolein

Synonyms

  • 2-Propenal, 3-(5-nitro-2-furanyl)-
  • 4-17-00-04700 (Beilstein Handbook Reference)
  • 5-Nitro-2-furanacrolein
  • 5-Nitro-2-furylacrolein
  • BRN 0005494
  • CCRIS 1541
  • EINECS 217-499-8

Systematic Names

  • 2-Furanacrolein, 5-nitro-
  • 5-Nitro-2-furanacrolein
  • 5-Nitrofuran-2-acrylaldehyde

Registry Numbers

CAS Registry Number

  • 1874-22-2

System Generated Number

  • 0001874222

Structure Descriptors

InChI

1S/C7H5NO4/c9-5-1-2-6-3-4-7(12-6)8(10)11/h1-5H/b2-1+

InChIKey

DXWCZMGIIFEEPU-OWOJBTEDSA-N

Smiles

c1(oc(\C=C\C=O)cc1)[N+]([O-])=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 117-120 deg C   EXP
log P (octanol-water) 0.96 (none)   EXP
Water Solubility 3910 mg/L 25 EST
Vapor Pressure 2.00E-03 mm Hg 25 EST
Henry's Law Constant 6.31E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.08E-11 cm3/molecule-sec 25 EST

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