5-(2,2,2-Trichloroacetyl)-1H-pyrrole-3-carbonitrile

CAS Registry Number®

80242-23-5
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CAS Name

5-(2,2,2-Trichloroacetyl)-1H-pyrrole-3-carbonitrile

Molecular Formula

C7H3Cl3N2O

Molecular Mass

237.47

Cite this Page

5-(2,2,2-Trichloroacetyl)-1H-pyrrole-3-carbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80242-23-5 (retrieved 2024-06-29) (CAS RN: 80242-23-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    130 °C @ Press: 0.5 Torr

  • Melting Point (1)

    139-140 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C7H3Cl3N2O/c8-7(9,10)6(13)5-1-4(2-11)3-12-5/h1,3,12H

InChIKey

InChIKey=GZOKBSGKQFQHRS-UHFFFAOYSA-N

SMILES

C(C(Cl)(Cl)Cl)(=O)C1=CC(C#N)=CN1

Canonical SMILES

N#CC1=CNC(=C1)C(=O)C(Cl)(Cl)Cl

Other Names for this Substance

  • 1H-Pyrrole-3-carbonitrile, 5-(2,2,2-trichloroacetyl)-
  • 1H-Pyrrole-3-carbonitrile, 5-(trichloroacetyl)-
  • 5-(2,2,2-Trichloroacetyl)-1H-pyrrole-3-carbonitrile
  • 2-Trichloroacetylpyrrole-4-carbonitrile