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Substance Name: 2-Acetylpyrrole
RN: 1072-83-9
UNII: 9K28W7PM6N
InChIKey: IGJQUJNPMOYEJY-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H7-N-O

Molecular Weight

  • 109.127
 
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Names and Synonyms

Name of Substance

  • 2-Acetylpyrrole

Synonyms

  • 1-(1H-Pyrrol-2-yl)ethanone
  • 1-(2-Pyrrolyl)-1-ethanone
  • 2-Acetyl-1H-pyrrole
  • 2-Acetylpyrrole
  • 2-Pyrrolyl methyl ketone
  • 2-Pyrrolylethanone
  • 5-21-07-00204 (Beilstein Handbook Reference)
  • BRN 0001882
  • CCRIS 6778
  • EINECS 214-016-2
  • Ethanone, 1-(1H-pyrrol-2-yl)-
  • FEMA No. 3202
  • Ketone, methyl pyrrol-2-yl
  • Methyl pyrrol-2-yl ketone
  • NSC 42861
  • PYRROLE-B-METHYL KETONE
  • UNII-9K28W7PM6N

Systematic Names

  • 1-(1H-Pyrrol-2-yl)ethan-1-one
  • 2-Acetylpyrrole
  • Ethanone, 1-(1H-pyrrol-2-yl)-
  • Ketone, methyl pyrrol-2-yl

Superlist Name

  • Methyl pyrrol-2-yl ketone

Registry Numbers

CAS Registry Number

  • 1072-83-9

FDA UNII

  • 9K28W7PM6N

System Generated Number

  • 0001072839

Structure Descriptors

InChI

1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3

InChIKey

IGJQUJNPMOYEJY-UHFFFAOYSA-N

Smiles

c1(C(C)=O)ccc[nH]1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 90 deg C   EXP
Boiling Point 220 deg C   EXP
log P (octanol-water) 0.93 (none)   EXP
Water Solubility 1.76E+04 mg/L 25 EST
Vapor Pressure 0.216 mm Hg 25 EST
Henry's Law Constant 1.65E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.00E-10 cm3/molecule-sec 25 EST

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