3-Iodo-1-methyl-1H-pyrazole-4-carboxylic acid

CAS Registry Number®

799835-40-8

CAS Name

3-Iodo-1-methyl-1H-pyrazole-4-carboxylic acid

Molecular Formula

C5H5IN2O2

Molecular Mass

252.01

Cite this Page

3-Iodo-1-methyl-1H-pyrazole-4-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=799835-40-8 (retrieved 2024-11-26) (CAS RN: 799835-40-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    240-242 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C5H5IN2O2/c1-8-2-3(5(9)10)4(6)7-8/h2H,1H3,(H,9,10)

InChIKey

InChIKey=HABVPNAKDPNEEK-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CN(C)N=C1I

Canonical SMILES

O=C(O)C1=CN(N=C1I)C

Other Names for this Substance

  • 1H-Pyrazole-4-carboxylic acid, 3-iodo-1-methyl-
  • 3-Iodo-1-methyl-1H-pyrazole-4-carboxylic acid

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