2,4,4-Trichloro-5-oxopentanenitrile

Base Information

• Chemical Name: 2,4,4-Trichloro-5-oxopentanenitrile
• CAS No.: 75272-53-6
• Molecular Formula: C5H4Cl3NO
• Molecular Weight: 200.452
• DSSTox Substance ID: DTXSID20513400
• Nikkaji Number: J877.254A
• Mol file: 75272-53-6.mol

Synonyms:2,4,4-Trichloro-5-oxopentanenitrile;75272-53-6;2,4,4-trichloro-4-formylbutyronitrile;SCHEMBL9009530;DTXSID20513400;WIPMHAQXXYPIPT-UHFFFAOYSA-N;2,4,4-trichloro-4-formyl-butyronitrile

Chemical Property of 2,4,4-Trichloro-5-oxopentanenitrile

Chemical Property:

• PSA: 40.86000
• LogP: 1.88028
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 198.935847
• Heavy Atom Count: 10
• Complexity: 171

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C#N)Cl)C(C=O)(Cl)Cl