172901

3-(Trifluoromethyl)benzonitrile

99%

• Synonym(s): α,α,α-Trifluoro-m-tolunitrile, 3-Cyanobenzotrifluoride
• Linear Formula: CF₃C₆H₄CN
• CAS Number: 368-77-4
• Molecular Weight: 171.12
• Beilstein: 1868102
• EC Number: 206-711-4
• MDL number: MFCD00001807
• UNSPSC Code: 12352100
• PubChem Substance ID: 24850426
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 99%
• form: liquid
• refractive index: n20/D 1.4575 (lit.)
• bp: 189 °C (lit.)
• mp: 16-20 °C (lit.)
• density: 1.281 g/mL at 25 °C (lit.)
• functional group: fluoro; nitrile
• SMILES string: FC(F)(F)c1cccc(c1)C#N
• InChI: 1S/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H
• InChI key: OGOBINRVCUWLGN-UHFFFAOYSA-N

Description

Application

3-(Trifluoromethyl)benzonitrile (α, α, α -trifluoro-m-tolunitrile) was used as a reference compound in the determination of the electron affinity of 1,3,5,7-cyclooctatetraene (COT).

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302 + H312,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P301 + P312 - P302 + P352 + P312
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Oral - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 161.6 °F - closed cup
• Flash Point(C): 72 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves