Ethyl 3-chloro-5-(chloromethyl)-4-cyano-1H-pyrrole-2-carboxylate

CAS Registry Number®

861034-57-3
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CAS Name

Ethyl 3-chloro-5-(chloromethyl)-4-cyano-1H-pyrrole-2-carboxylate

Molecular Formula

C9H8Cl2N2O2

Molecular Mass

247.08

Cite this Page

Ethyl 3-chloro-5-(chloromethyl)-4-cyano-1H-pyrrole-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=861034-57-3 (retrieved 2024-08-13) (CAS RN: 861034-57-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    138-140 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H8Cl2N2O2/c1-2-15-9(14)8-7(11)5(4-12)6(3-10)13-8/h13H,2-3H2,1H3

InChIKey

InChIKey=FSRRSZPUMYNERS-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1=C(Cl)C(C#N)=C(CCl)N1

Canonical SMILES

N#CC=1C(Cl)=C(NC1CCl)C(=O)OCC

Other Names for this Substance

  • 1H-Pyrrole-2-carboxylic acid, 3-chloro-5-(chloromethyl)-4-cyano-, ethyl ester
  • 2-Pyrrolecarboxylic acid, 3-chloro-5-(chloromethyl)-4-cyano-, Et ester
  • Ethyl 3-chloro-5-(chloromethyl)-4-cyano-1H-pyrrole-2-carboxylate