2-Methyl-5-(trifluoromethyl)benzonitrile

Base Information

• Chemical Name: 2-Methyl-5-(trifluoromethyl)benzonitrile
• CAS No.: 261952-03-8
• Molecular Formula: C9H6F3N
• Molecular Weight: 185.149
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID40379601
• Wikidata: Q82169479
• Mol file: 261952-03-8.mol

Synonyms:2-methyl-5-(trifluoromethyl)benzonitrile;261952-03-8;Benzonitrile, 2-methyl-5-(trifluoromethyl)-;MFCD01631594;2-Methyl-5-trifluoromethyl-benzonitrile;SCHEMBL4235811;DTXSID40379601;NKYUMNAHEJWIND-UHFFFAOYSA-N;AKOS005063911;AM61873;PS-8505;FT-0647708;A20980;C13389

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

Chemical Property:

• Vapor Pressure: 0.162mmHg at 25°C
• Refractive Index: 1.463
• Boiling Point: 213.7 °C at 760 mmHg
• Flash Point: 83 °C
• PSA: 23.79000
• Density: 1.24 g/cm³
• LogP: 2.88548
• Storage Temp.: 2-8°C
• 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:

97% ^*data from raw suppliers

2-Methyl-5-(trifluoromethyl)benzonitrile 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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