3-Chloro-5-(trifluoromethyl)benzonitrile

Base Information

• Chemical Name: 3-Chloro-5-(trifluoromethyl)benzonitrile
• CAS No.: 693245-52-2
• Molecular Formula: C8H3ClF3N
• Molecular Weight: 205.56
• Hs Code.: 2926909090
• European Community (EC) Number: 640-295-9
• DSSTox Substance ID: DTXSID40404548
• Wikidata: Q72460205
• Mol file: 693245-52-2.mol

Synonyms:3-chloro-5-(trifluoromethyl)benzonitrile;693245-52-2;5-chloro-3-cyanobenzotrifluoride;3-Chloro-5-trifluoromethyl-benzonitrile;MFCD04115854;3-Chloro-5-cyanobenzotrifluoride;Benzonitrile, 3-chloro-5-(trifluoromethyl)-;SCHEMBL628010;DTXSID40404548;AKOS005063749;AC-4121;AM61631;CS-W015362;PS-8097;SY102508;C3307;FT-0651935;A21346;D81732

Chemical Property of 3-Chloro-5-(trifluoromethyl)benzonitrile

Chemical Property:

• Vapor Pressure: 0.369mmHg at 25°C
• Refractive Index: 1.485
• Boiling Point: 197.921 °C at 760 mmHg
• Flash Point: 73.5 °C
• PSA: 23.79000
• Density: 1.432 g/cm³
• LogP: 3.23048
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 204.9906113
• Heavy Atom Count: 13
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

3-Chloro-5-(trifluoromethyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)Cl)C#N