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Benzyl isocyanate

Name: Benzyl isocyanate
Brand: ALDRICH

99%

Synonym(s):

α-Isocyanatotoluene, (Isocyanatomethyl)benzene, 1-(Isocyanatomethyl)benzene, Phenylmethyl isocyanate

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About This Item

Linear Formula:

C₆H₅CH₂NCO

CAS Number:

3173-56-6

Molecular Weight:

133.15

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24853269

EC Number:

221-640-9

Beilstein/REAXYS Number:

636508

MDL number:

MFCD00009701

Assay:

99%

Form:

liquid

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Properties

Quality Segment

100

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.)

functional group

amine, isocyanate, phenyl

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).

pictograms

GHS02

signalword

Warning

hcodes

H226

pcodes

P210 - P233 - P240 - P241 - P242 - P243

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

113.0 °F - closed cup

flash_point_c

45 °C - closed cup

ppe

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

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