5-(Trifluoromethyl)-1h-pyrazole-3-carbonyl chloride

Base Information

• Chemical Name: 5-(Trifluoromethyl)-1h-pyrazole-3-carbonyl chloride
• CAS No.: 129768-29-2
• Molecular Formula: C₅H₂ClF₃N₂O
• Molecular Weight: 198.532
• DSSTox Substance ID: DTXSID80599124
• Wikidata: Q82494978
• Mol file: 129768-29-2.mol

Synonyms:129768-29-2;3-(trifluoromethyl)-1H-pyrazole-5-carbonyl chloride;5-(trifluoromethyl)-1h-pyrazole-3-carbonyl chloride;1H-Pyrazole-3-carbonyl chloride, 5-(trifluoromethyl)- (9CI);3-(Trifluoromethyl)-1H-pyrazole-5-carbonylchloride;1H-PYRAZOLE-3-CARBONYL CHLORIDE, 5-(TRIFLUOROMETHYL)-;C5H2ClF3N2O;3-(trifluoromethyl)pyrazole-5-carbonyl chloride;SCHEMBL3053796;DTXSID80599124;STK349669;AKOS000310158;AKOS030255544;DB-267948

Chemical Property of 5-(Trifluoromethyl)-1h-pyrazole-3-carbonyl chloride

Chemical Property:

• PSA: 45.75000
• LogP: 1.80750
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 197.9807749
• Heavy Atom Count: 12
• Complexity: 196

Purity/Quality:

99%+ ^*data from raw suppliers

3-(Trifluoromethyl)-1H-pyrazole-5-carbonylchloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NN=C1C(=O)Cl)C(F)(F)F

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