2-Methyl-3-(trifluoromethyl)benzonitrile

Base Information

• Chemical Name: 2-Methyl-3-(trifluoromethyl)benzonitrile
• CAS No.: 261952-02-7
• Molecular Formula: C9H6F3N
• Molecular Weight: 185.15
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID30381197
• Wikidata: Q82171872
• Mol file: 261952-02-7.mol

Synonyms:2-Methyl-3-(trifluoromethyl)benzonitrile;261952-02-7;Benzonitrile, 2-methyl-3-(trifluoromethyl)-;SCHEMBL6280692;AMY6728;DTXSID30381197;MFCD01631593;2-methyl (trifluoromethyl)benzonitrile;AKOS015956008;PS-8501;CS-0153518;FT-0738789;A877313

Chemical Property of 2-Methyl-3-(trifluoromethyl)benzonitrile

Chemical Property:

• Melting Point: 28-31℃
• Boiling Point: 209.7±35.0 °C(Predicted)
• PSA: 23.79000
• Density: 1.24±0.1 g/cm3(Predicted)
• LogP: 2.88548
• Storage Temp.: Sealed in dry,Room Temperature
• 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

2-Methyl-3-(trifluoromethyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1C(F)(F)F)C#N