5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride

Base Information

• Chemical Name: 5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride
• CAS No.: 128564-57-8
• Molecular Formula: C6H3Cl2F3N2O
• Molecular Weight: 247.004
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID50383234
• Wikidata: Q82174883
• Mol file: 128564-57-8.mol

Synonyms:128564-57-8;5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride;5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl chloride;1H-Pyrazole-4-carbonyl chloride, 5-chloro-1-methyl-3-(trifluoromethyl)-;SCHEMBL3062142;DTXSID50383234;MFCD04115396;FT-0620214;W-205299;5-chloro-1-methyl-3-trifluoromethylpyrazole-4-carbonyl chloride;5-chloro-1-methyl-3-trifluoromethylpyrazol-4-carboxylic acid chloride;5-chloro-1-methyl-3-trifluoromethylpyrazole-4-carboxylic acid chloride

Chemical Property of 5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride

Chemical Property:

• Melting Point: 100oC
• PSA: 34.89000
• LogP: 2.47130
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 245.9574526
• Heavy Atom Count: 14
• Complexity: 248

Purity/Quality:

99%min. ^*data from raw suppliers

5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonylchloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C:Corrosive
• Statements: R34:Causes burns.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=C(C(=N1)C(F)(F)F)C(=O)Cl)Cl