4,4,4-Trichlorobutan-2-one

Base Information

• Chemical Name: 4,4,4-Trichlorobutan-2-one
• CAS No.: 112605-39-7
• Molecular Formula: C4H5Cl3O
• Molecular Weight: 175.442
• DSSTox Substance ID: DTXSID30505891
• Wikidata: Q82361306

Synonyms:4,4,4-Trichlorobutan-2-one;112605-39-7;SCHEMBL48036;4,4,4-trichloro-2-butanal;DTXSID30505891

Chemical Property of 4,4,4-Trichlorobutan-2-one

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 173.940598
• Heavy Atom Count: 8
• Complexity: 93.9

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(Cl)(Cl)Cl

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