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CAS Number: 84547-86-4
4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid

Structure

4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid
Name: 4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid
Synonyms:
General Information
Product Number: 84547864

CAS Registry Number 84547-86-4
Name:
1H-​Pyrazole-​3-​carboxylic acid, 4-​bromo-​1-​methyl-
4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid

 

Chemical Formula: C5H5BrN2O2
Exact Mass: 203.95
Molecular Weight: 205.01
m/z: 203.95 (100.0%), 205.95 (97.3%), 206.95 (6.0%), 204.96 (5.5%)

 

InChI:InChI=1S/C5H5BrN2O2/c1-8-2-3(6)4(7-8)5(9)10/h2H,1H3,(H,9,10)

InChI Key:LEEPGDCCHVRYHK-UHFFFAOYSA-N

Canonical SMILES:CN1C=C(C(=N1)C(=O)O)Br

 

Thermal Properties Value Condition Note
Melting Point 211-212 °C Solv: acetic acid (64-19-7) (2)IC

Specification

98%

References

(2) Manaev, Yu. A.; Zhurnal Obshchei Khimii 1982, V52(11), P2592-8 CAPLUS

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