2-Cyano-2-methylpropanoyl chloride

Base Information

• Chemical Name: 2-Cyano-2-methylpropanoyl chloride
• CAS No.: 50648-67-4
• Molecular Formula: C₅H₆ClNO
• Molecular Weight: 131.562
• DSSTox Substance ID: DTXSID70604312
• Wikidata: Q82502180
• Mol file: 50648-67-4.mol

Synonyms:50648-67-4;2-cyano-2-methylpropanoyl chloride;Propanoyl chloride, 2-cyano-2-methyl-;SCHEMBL1268067;DTXSID70604312;QLNMVRAEFLKXRU-UHFFFAOYSA-N;2-cyano-2-methylpropionyl chloride

Chemical Property of 2-Cyano-2-methylpropanoyl chloride

Chemical Property:

• Boiling Point: 180.9±23.0 °C(Predicted)
• PSA: 40.86000
• Density: 1.164±0.06 g/cm3(Predicted)
• LogP: 1.30158
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 131.0137915
• Heavy Atom Count: 8
• Complexity: 153

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C#N)C(=O)Cl