5-Nitro-2-(trifluoromethyl)benzonitrile

Base Information

• Chemical Name: 5-Nitro-2-(trifluoromethyl)benzonitrile
• CAS No.: 887350-95-0
• Molecular Formula: C8H3F3N2O2
• Molecular Weight: 216.12
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID10541651
• Wikidata: Q72496396
• Mol file: 887350-95-0.mol

Synonyms:5-nitro-2-(trifluoromethyl)benzonitrile;887350-95-0;2-Trifluoromethyl-5-nitrobenzonitrile;AMY3199;DTXSID10541651;KGIRDFJKJWPGLT-UHFFFAOYSA-N;CL9063;MFCD08448277;AKOS015890240;AC-28679;AS-46192;CS-0098744;A15976;A861524

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

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Refractive Index: 1.499
• Boiling Point: 282.386 °C at 760 mmHg
• Flash Point: 124.583 °C
• PSA: 69.61000
• Density: 1.498 g/cm³
• LogP: 3.00848
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 216.01466183
• Heavy Atom Count: 15
• Complexity: 301

Purity/Quality:

98% ^*data from raw suppliers

2-TRIFLUOROMETHYL-5-NITROBENZONITRILE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C#N)C(F)(F)F