196649

2-Fluorobenzonitrile

98%

• Linear Formula: FC₆H₄CN
• CAS Number: 394-47-8
• Molecular Weight: 121.11
• Beilstein/REAXYS Number: 2042184
• EC Number: 206-897-7
• MDL number: MFCD00001773
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851778
• NACRES: NA.22

Properties

• Quality Level: 200
• assay: 98%
• form: liquid
• refractive index: n20/D 1.505 (lit.)
• bp: 90 °C/21 mmHg (lit.)
• density: 1.116 g/mL at 25 °C (lit.)
• functional group: fluoro; nitrile
• SMILES string: Fc1ccccc1C#N
• InChI: 1S/C7H4FN/c8-7-4-2-1-3-6(7)5-9/h1-4H
• InChI key: GDHXJNRAJRCGMX-UHFFFAOYSA-N

Description

General description

2-Fluorobenzonitrile reacts with lithium N,N-dialkylaminoborohydride reagent to yield 2-(N,N-dialkylamino)benzylamines.

Application

2-Fluorobenzonitrile was used in the synthesis of :

• 3-amino-1,2-benzisoxazoles
• 6-(acetylaminomethyl)-3-amino-1,2-benzisoxazole
• 5-(4′-methyl [1, 1′-biphenyl]-2-yl)-1H-tetrazole
• xanthone-iminium triflates

Safety Information

• pictograms: GHS05,GHS07
• signalword: Danger
• hcodes: H302,H315,H318,H335
• pcodes: P261 - P280 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 165.2 °F - closed cup
• flash_point_c: 74 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter