3-Bromo-4-(trifluoromethoxy)benzonitrile

Base Information

• Chemical Name: 3-Bromo-4-(trifluoromethoxy)benzonitrile
• CAS No.: 191602-89-8
• Molecular Formula: C8H3BrF3NO
• Molecular Weight: 266.01
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID50596261
• Wikidata: Q82491479
• Mol file: 191602-89-8.mol

Synonyms:3-Bromo-4-(trifluoromethoxy)benzonitrile;191602-89-8;Benzonitrile, 3-bromo-4-(trifluoromethoxy)-;2-Bromo-4-cyano-alpha,alpha,alpha-trifluoroanisole;SCHEMBL8119291;DTXSID50596261;MFCD13195683;AKOS015834349;BS-21974;DB-366132;CS-0083368;A880366

Chemical Property of 3-Bromo-4-(trifluoromethoxy)benzonitrile

Chemical Property:

• PSA: 33.02000
• LogP: 3.21938
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 264.93501
• Heavy Atom Count: 14
• Complexity: 247

Purity/Quality:

≥95% ^*data from raw suppliers

3-Bromo-4-(trifluoromethoxy)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C#N)Br)OC(F)(F)F