227269

Benzyl isocyanate

99%

• Synonym(s): α-Isocyanatotoluene, (Isocyanatomethyl)benzene, 1-(Isocyanatomethyl)benzene, Phenylmethyl isocyanate
• Linear Formula: C₆H₅CH₂NCO
• CAS Number: 3173-56-6
• Molecular Weight: 133.15
• Beilstein: 636508
• EC Number: 221-640-9
• MDL number: MFCD00009701
• UNSPSC Code: 12352100
• PubChem Substance ID: 24853269
• NACRES: NA.22

Properties

• Assay: 99%
• form: liquid
• refractive index: n20/D 1.526 (lit.)
• bp: 101-104 °C/33 mmHg (lit.)
• density: 1.078 g/mL at 25 °C (lit.)
• SMILES string: O=C=NCc1ccccc1
• InChI: 1S/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
• InChI key: YDNLNVZZTACNJX-UHFFFAOYSA-N

Description

General description

Benzyl isocyanate inhibits the formation of benzo[a]pyrene (BP)-DNA adduct and posses chemopreventive properties.

Application

Benzyl isocyanate was used to investigate the kinetics of isocyanate derivatization reaction in a continuous flow glass microfluidics chip. It was also used in a multicomponent, stereospecific synthesis of 1,3-oxazinane-2,4-diones employing an Al-salph complex (674699).

Safety Information

• Pictograms: GHS02
• Signal Word: Warning
• Hazard Statements: H226
• Precautionary Statements: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 3
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 113.0 °F - closed cup
• Flash Point(C): 45 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves