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Substance Name: Pyrrole-2-carboxaldehyde
RN: 1003-29-8
UNII: 068TSM6S6P
InChIKey: ZSKGQVFRTSEPJT-UHFFFAOYSA-N

Molecular Formula

  • C5-H5-N-O

Molecular Weight

  • 95.1005
 
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Names and Synonyms

Name of Substance

  • Pyrrole-2-carboxaldehyde

Synonyms

  • 2-Formylpyrrole
  • 2-Pyrrolecarbaldehyde
  • 2-Pyrrolylcarboxaldehyde
  • AI3-35104
  • EINECS 213-705-5
  • NSC 112885
  • NSC 66394
  • Pyrrole-2-aldehyde
  • Pyrrole-2-carboxaldehyde
  • UNII-068TSM6S6P

Systematic Names

  • 1H-Pyrrole-2-carboxaldehyde
  • Pyrrole-2-carbaldehyde
  • Pyrrole-2-carboxaldehyde (8CI)

Registry Numbers

CAS Registry Number

  • 1003-29-8

FDA UNII

  • 068TSM6S6P

Other Registry Numbers

  • 129006-63-9
  • 1610718-04-1

System Generated Number

  • 0001003298

Structure Descriptors

InChI

1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H

InChIKey

ZSKGQVFRTSEPJT-UHFFFAOYSA-N

Smiles

c1cc([nH]c1)C=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 46.5 deg C   EXP
Boiling Point 218 deg C   EXP
log P (octanol-water) 0.64 (none)   EXP
Water Solubility 3.43E+04 mg/L 25 EST
Vapor Pressure 0.326 mm Hg 25 EST
Henry's Law Constant 2.26E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.27E-11 cm3/molecule-sec 25 EST

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