1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride

Base Information

• Chemical Name: 1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride
• CAS No.: 864068-95-1
• Molecular Formula: C11H9ClN2O
• Molecular Weight: 220.65
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID50428770
• Mol file: 864068-95-1.mol

Synonyms:1-METHYL-3-PHENYL-1H-PYRAZOLE-5-CARBONYL CHLORIDE;864068-95-1;2-methyl-5-phenylpyrazole-3-carbonyl chloride;1H-Pyrazole-5-carbonylchloride, 1-methyl-3-phenyl-;SCHEMBL2790174;DTXSID50428770;MFCD08271940;FT-0705608

Chemical Property of 1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride

Chemical Property:

• Vapor Pressure: 1.42E-05mmHg at 25°C
• Melting Point: 88 °C
• Refractive Index: 1.611
• Boiling Point: 366.9 °C at 760 mmHg
• Flash Point: 175.7 °C
• PSA: 34.89000
• Density: 1.26 g/cm³
• LogP: 2.46610
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 220.0403406
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

98%Min ^*data from raw suppliers

1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 14-22-29-34
• Safety Statements: 8-22-26-30-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CC(=N1)C2=CC=CC=C2)C(=O)Cl