1-tert-Butyl-5-methyl-1H-pyrazole-3-carbonyl chloride

Base Information

• Chemical Name: 1-tert-Butyl-5-methyl-1H-pyrazole-3-carbonyl chloride
• CAS No.: 306936-94-7
• Molecular Formula: C9H13 Cl N2 O
• Molecular Weight: 200.668
• Hs Code.: 2933199090
• European Community (EC) Number: 674-961-5
• DSSTox Substance ID: DTXSID90370880
• Wikidata: Q82158043
• Mol file: 306936-94-7.mol

Synonyms:306936-94-7;1-tert-Butyl-5-methyl-1H-pyrazole-3-carbonyl chloride;1-(tert-butyl)-5-methyl-1h-pyrazole-3-carbonyl chloride;1-tert-butyl-5-methylpyrazole-3-carbonyl chloride;1H-Pyrazole-3-carbonyl chloride, 1-(1,1-dimethylethyl)-5-methyl-;1H-Pyrazole-3-carbonylchloride, 1-(1,1-dimethylethyl)-5-methyl-;SCHEMBL3056530;DTXSID90370880;BUXVJLQSMVDBHC-UHFFFAOYSA-N;MFCD02180875;FS-5790;FT-0605878;1-tert-Butyl-5-methyl-1H-pyrazole-3-carbonylchloride

Chemical Property of 1-tert-Butyl-5-methyl-1H-pyrazole-3-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.00398mmHg at 25°C
• Refractive Index: 1.533
• Boiling Point: 279.6°Cat760mmHg
• PKA: -0.18±0.10(Predicted)
• Flash Point: 122.9°C
• PSA: 34.89000
• Density: 1.16g/cm³
• LogP: 2.32550
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.0716407
• Heavy Atom Count: 13
• Complexity: 212

Purity/Quality:

98%min ^*data from raw suppliers

1-(TERT-BUTYL)-5-METHYL-1H-PYRAZOLE-3-CARBONYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN1C(C)(C)C)C(=O)Cl