1-(4-Chloro-3,5-dimethyl-1h-pyrazol-1-yl)acetone

Base Information

• Chemical Name: 1-(4-Chloro-3,5-dimethyl-1h-pyrazol-1-yl)acetone
• CAS No.: 1001465-98-0
• Molecular Formula: C8H11ClN2O
• Molecular Weight: 186.64
• Hs Code.: 2933199090
• European Community (EC) Number: 887-231-8
• DSSTox Substance ID: DTXSID00396692
• Wikidata: Q82197536
• Mol file: 1001465-98-0.mol

Synonyms:1001465-98-0;1-(4-chloro-3,5-dimethyl-1h-pyrazol-1-yl)acetone;1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-one;1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-one;1-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-propan-2-one;DTXSID00396692;BQB46598;BBL038833;MFCD03885076;STK312615;AKOS000311427;CS-0240760;EN300-229948;1-(4-Chloro-3,5-dimethylpyrazol-1-yl)-propan-2-one

Chemical Property of 1-(4-Chloro-3,5-dimethyl-1h-pyrazol-1-yl)acetone

Chemical Property:

• Boiling Point: 277.9±40.0 °C(Predicted)
• PKA: 0.66±0.10(Predicted)
• PSA: 34.89000
• Density: 1.22±0.1 g/cm3(Predicted)
• LogP: 1.74230
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.0559907
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NN1CC(=O)C)C)Cl