1H-Pyrazole-3,5-dicarbonyl dichloride

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Basic information

CAS: 74621-40-2
Standard SMILES: O=C(Cl)c1cc(C(=O)Cl)[nH]n1
InChIKey: WMMMGSYFLSOOIK-UHFFFAOYSA-N
Molecular formula: C5H2Cl2N2O2
Average molar mass: 192.98 g/mol
Monoisotopic mass: 191.9493327

Names & identifiers

Preferred name: 1H-Pyrazole-3,5-dicarbonyl dichloride
IUPAC: 1H-pyrazole-3,5-dicarbonyl chloride
English name: 1H-Pyrazole-3,5-dicarbonyldichloride(9CI)
Molecular formula: C5H2Cl2N2O2
Molecular weight: 192.989

Names & synonyms

74621-40-21H-PYRAZOLE-3,5-DICARBONYL DICHLORIDEDTXSID50452555RefChem:239883DTXCID404033741H-pyrazole-3,5-dicarbonyl ChlorideSCHEMBL12455353,5-dichloroformyl-1h-pyrazoleAKOS006318434DB-3753211H-Pyrazole-3,5-dicarbonyldichloride(9CI)

Database identifiers

CAS: 74621-40-2
PubChem CID: 11030656
DTXSID: DTXSID50452555
Nikkaji: J1.013.668G

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 62.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 197

Chemistry & industry

Upstream & downstream products

Downstream products

1,3,5-Trimethyl-pyrazole-3,5-dicarboxylate 1-Methyl-1H-pyrazole-3,5-dicarboxylic acid 3-methyl ester

Related reactions

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Compound notes

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