4-Amino-5-bromo-2-(trifluoromethyl)benzonitrile

Base Information

• Chemical Name: 4-Amino-5-bromo-2-(trifluoromethyl)benzonitrile
• CAS No.: 155255-45-1
• Molecular Formula: C8H4BrF3N2
• Molecular Weight: 265
• Hs Code.: 2926909090
• European Community (EC) Number: 964-941-7
• DSSTox Substance ID: DTXSID10596681
• Wikidata: Q82491994
• Mol file: 155255-45-1.mol

Synonyms:4-Amino-5-bromo-2-(trifluoromethyl)benzonitrile;155255-45-1;2-Bromo-4-cyano-5-(trifluoromethyl)aniline;4-amino-5-bromo-2-trifluoromethylbenzonitrile;Benzonitrile, 4-amino-5-bromo-2-(trifluoromethyl)-;SCHEMBL4025318;DTXSID10596681;VDQSOTIHVAEDDZ-UHFFFAOYSA-N;MFCD12026293;AKOS015891048;AS-42310;DB-010066;CS-0100903;EN300-7384826;55255-45-3

Chemical Property of 4-Amino-5-bromo-2-(trifluoromethyl)benzonitrile

Chemical Property:

• Boiling Point: 320.9±42.0 °C(Predicted)
• PKA: -1.56±0.10(Predicted)
• PSA: 49.81000
• Density: 1.78±0.1 g/cm3(Predicted)
• LogP: 3.50298
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 263.95100
• Heavy Atom Count: 14
• Complexity: 257

Purity/Quality:

98%min ^*data from raw suppliers

4-Amino-5-bromo-2-(trifluoromethyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Br)N)C(F)(F)F)C#N