196681

4-(Trifluoromethyl)benzonitrile

99%

• Synonyma: α,α,α-Trifluoro-p-tolunitrile
• Lineární vzorec: CF₃C₆H₄CN
• Číslo CAS: 455-18-5
• Molekulová hmotnost: 171.12
• EC Number: 207-239-1
• MDL number: MFCD00001826
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851784
• NACRES: NA.22

Vlastnosti

• Quality Level: 100
• assay: 99%
• form: solid
• refractive index: n20/D 1.4583 (lit.)
• bp: 80-81 °C/20 mmHg (lit.)
• mp: 39-41 °C (lit.)
• density: 1.278 g/mL at 25 °C (lit.)
• functional group: fluoro; nitrile
• SMILES string: FC(F)(F)c1ccc(cc1)C#N
• InChI: 1S/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H
• InChI key: DRNJIKRLQJRKMM-UHFFFAOYSA-N

Popis

General description

4-(Trifluoromethyl)benzonitrile is a key intermediate in the synthesis of fluvoxamine. It participates in nickel-catalyzed arylcyanation reaction of 4-octyne.

Bezpečnostní informace

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H228,H302 + H312 + H332
• pcodes: P210 - P240 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Sol. 1
• Storage Class: 4.1B - Flammable solid hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 161.6 °F - closed cup
• flash_point_c: 72 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves