5-Methyl-2-(trifluoromethyl)benzonitrile

Base Information

• Chemical Name: 5-Methyl-2-(trifluoromethyl)benzonitrile
• CAS No.: 886502-61-0
• Molecular Formula: C9H6F3N
• Molecular Weight: 185.15
• Hs Code.: 2926909090
• European Community (EC) Number: 679-070-5
• DSSTox Substance ID: DTXSID10590664
• Wikidata: Q82484299
• Mol file: 886502-61-0.mol

Synonyms:5-Methyl-2-(trifluoromethyl)benzonitrile;886502-61-0;MFCD06660290;SCHEMBL12326829;DTXSID10590664;AKOS005255553;JS-4473;SY102285;DB-306771;CS-0128714;A861589;5-methyl-2-(trifluoromethyl)benzonitrile;2-cyano-4-methylbenzotrifluoride

Chemical Property of 5-Methyl-2-(trifluoromethyl)benzonitrile

Chemical Property:

• Refractive Index: 1.4685
• Boiling Point: 235.3±35.0 °C(Predicted)
• PSA: 23.79000
• Density: 1.24±0.1 g/cm3(Predicted)
• LogP: 2.88548
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 185.04523368
• Heavy Atom Count: 13
• Complexity: 225

Purity/Quality:

98%Min ^*data from raw suppliers

5-Methyl-2-(trifluoromethyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C(F)(F)F)C#N