4,4,4-Trichloro-2-methylbut-2-enal

Base Information

• Chemical Name: 4,4,4-Trichloro-2-methylbut-2-enal
• CAS No.: 68143-01-1
• Molecular Formula: C₅H₅Cl₃O
• Molecular Weight: 187.453
• DSSTox Substance ID: DTXSID10707735

Synonyms:4,4,4-Trichloro-2-methylbut-2-enal;68143-01-1;DTXSID10707735

Chemical Property of 4,4,4-Trichloro-2-methylbut-2-enal

Chemical Property:

• PSA: 17.07000
• LogP: 2.50180
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 185.940598
• Heavy Atom Count: 9
• Complexity: 134

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

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

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