294098

Benzonitrile

anhydrous, ≥99%

• Synonym(s): Phenyl cyanide
• Linear Formula: C₆H₅CN
• CAS Number: 100-47-0
• Molecular Weight: 103.12
• Beilstein/REAXYS Number: 506893
• EC Number: 202-855-7
• MDL number: MFCD00001770
• UNSPSC Code: 12352002
• eCl@ss: 39031505
• PubChem Substance ID: 57648369
• NACRES: NA.21

Properties

• grade: anhydrous
• Quality Level: 100
• assay: ≥99%
• form: liquid
• expl. lim.: 0.34-6.3 %
• impurities: <0.003% water; <0.005% water (100 mL pkg)
• evapn. residue: <0.0003%
• refractive index: n20/D 1.528 (lit.)
• bp: 191 °C (lit.)
• mp: −13 °C (lit.)
• SMILES string: N#Cc1ccccc1
• InChI: 1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
• InChI key: JFDZBHWFFUWGJE-UHFFFAOYSA-N

Description

Application

Benzonitrile may be used in the synthesis of organic building blocks such as 2-cyclopentylacetophenone, 4-carbomethoxy-5-methoxy-2-phenyl-1,3-oxazole and 1-phenyl-3,4-dihydro-6,7-methylenedioxyisoquinoline. It may also be used as a solvent in the synthesis of bis(trifluoromethyl)diazomethane.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312
• pcodes: P264 - P280 - P301 + P312 - P302 + P352 + P312 - P362 + P364 - P501
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Oral
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk_germany: WGK 1
• flash_point_f: 158.0 °F - closed cup
• flash_point_c: 70 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter