B8959

Benzonitrile

ReagentPlus^®, 99%

• Synonym(s): Phenyl cyanide
• Linear Formula: C₆H₅CN
• CAS Number: 100-47-0
• Molecular Weight: 103.12
• Beilstein: 506893
• EC Number: 202-855-7
• MDL number: MFCD00001770
• UNSPSC Code: 12352117
• eCl@ss: 39031505
• PubChem Substance ID: 329773147
• NACRES: NA.21
• grade: reagent
• bp: 191 °C (lit.)

Properties

• grade: reagent
• Quality Level: 200
• product line: ReagentPlus^®
• Assay: 99%
• form: liquid
• expl. lim.: 0.34-6.3 %
• dilution: (for general lab use)
• 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

General description

Benzonitrile, also known as a phenyl cyanide compound, is a useful solvent and a versatile precursor to many derivatives. It is a good solvent for the study of inorganic, organic, anhydrous, and organometallic compounds.[1][2]

Application

Benzonitrile can be used as:

• An electrochemical solvent to investigate the electrochemistry, spectroscopic properties, and reactivity of a series of cobalt porphyrins with various substituents.[3]
• Building block or starting material in various organic synthesis reactions.[1]
• Employed in coupling reactions, such as Suzuki couplings or Heck reactions, to facilitate the formation of carbon-carbon bonds.[3]

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302 + H312
• Precautionary Statements: P264 - P280 - P301 + P312 - P302 + P352 + P312 - P362 + P364 - P501
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Oral
• Storage Class Code: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 1
• Flash Point(F): 158.0 °F - closed cup
• Flash Point(C): 70 °C - closed cup