3-(Trifluoromethoxy)benzoyl cyanide

Base Information

• Chemical Name: 3-(Trifluoromethoxy)benzoyl cyanide
• CAS No.: 80277-37-8
• Molecular Formula: C9H4 F3 N O2
• Molecular Weight: 215.13
• DSSTox Substance ID: DTXSID20696383
• Wikidata: Q82625943
• Mol file: 80277-37-8.mol

Synonyms:3-(trifluoromethoxy)benzoyl cyanide;80277-37-8;OXO-(3-TRIFLUOROMETHOXY-PHENYL)-ACETONITRILE;2-oxo-2-[3-(trifluoromethoxy)phenyl]acetonitrile;DTXSID20696383;3-(trifluoromethoxy)benzoylcyanide;MFCD04972991;SB38829;CS-0455947;3-(Trifluoromethoxy)benzene-1-carbonyl cyanide;A839879

Chemical Property of 3-(Trifluoromethoxy)benzoyl cyanide

Chemical Property:

• PSA: 50.09000
• LogP: 2.29148
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 215.01941286
• Heavy Atom Count: 15
• Complexity: 292

Purity/Quality:

99%min ^*data from raw suppliers

Oxo-(3-trifluoromethoxy-phenyl)-acetonitrile 96% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OC(F)(F)F)C(=O)C#N