4-Bromo-5-methyl-1H-pyrazole-3-carboxylic acid

CAS Registry Number®

82231-52-5

CAS Name

4-Bromo-5-methyl-1H-pyrazole-3-carboxylic acid

Molecular Formula

C5H5BrN2O2

Molecular Mass

205.01

Cite this Page

4-Bromo-5-methyl-1H-pyrazole-3-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82231-52-5 (retrieved 2024-11-22) (CAS RN: 82231-52-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    256-257 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C5H5BrN2O2/c1-2-3(6)4(5(9)10)8-7-2/h1H3,(H,7,8)(H,9,10)

InChIKey

InChIKey=XIZPNSLYWMMPNI-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1C(Br)=C(C)NN1

Canonical SMILES

O=C(O)C1=NNC(=C1Br)C

Other Names for this Substance

  • 1H-Pyrazole-3-carboxylic acid, 4-bromo-5-methyl-
  • 4-Bromo-5-methyl-1H-pyrazole-3-carboxylic acid
  • 3-Carboxy-4-bromo-5-methylpyrazole
  • NSC 215265

Deleted or Replaced CAS Registry Numbers

861382-63-0, 2850349-95-8

CAS INSIGHTSTM
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