308188

Benzoyl isocyanate

technical grade, 90%

• Linear Formula: C₆H₅CONCO
• CAS Number: 4461-33-0
• Molecular Weight: 147.13
• EC Number: 224-717-5
• MDL number: MFCD00002032
• UNSPSC Code: 12352100
• PubChem Substance ID: 24858655
• NACRES: NA.22

Properties

• grade: technical grade
• Quality Level: 100
• assay: 90%
• refractive index: n20/D 1.5514 (lit.)
• bp: 94-96 °C/21 mmHg (lit.)
• density: 1.171 g/mL at 25 °C (lit.)
• functional group: amine; isocyanate; phenyl
• storage temp.: −20°C
• SMILES string: O=C=NC(=O)c1ccccc1
• InChI: 1S/C8H5NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5H
• InChI key: LURYMYITPCOQAU-UHFFFAOYSA-N

Description

General description

The reaction mechanism of benzoyl isocyanate with 6-benzyl-6-azabicyclo[2.2.1]hept-2-ene was studied.

Application

Benzoyl isocyanate was used as a capping reagent for low-reactivity hydroxy groups in the solid-phase-supported oligosaccharide synthesis.

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H302 + H312 + H332,H315,H317,H319,H334,H335
• pcodes: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: 161.6 °F - closed cup
• flash_point_c: 72 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter