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308188

Benzoyl isocyanate

technical grade, 90%

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About This Item

Linear Formula:
C6H5CONCO
CAS Number:
4461-33-0
Molecular Weight:
147.13
NACRES:
NA.22
PubChem Substance ID:
24858655
UNSPSC Code:
12352100
EC Number:
224-717-5
MDL number:
MFCD00002032
Assay:
90%
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grade

technical grade

Quality Segment

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

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.

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

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

WGK 3

Flash Point (°F)

161.6 °F - closed cup

Flash Point (°C)

72 °C - closed cup

PPE (personal protective equipment)

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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