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227269

Sigma-Aldrich

Benzyl isocyanate

99%

Linear Formula:
C6H5CH2NCO
CAS Number:
Molecular Weight:
133.15
Beilstein:
636508
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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

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This Item
252492133299232297
Benzyl isocyanate 99%

Sigma-Aldrich

227269

Benzyl isocyanate

Benzyl isothiocyanate 98%

Sigma-Aldrich

252492

Benzyl isothiocyanate

Benzyl isocyanide 98%

Sigma-Aldrich

133299

Benzyl isocyanide

assay

99%

assay

98%

assay

98%

assay

95%

form

liquid

form

liquid

form

-

form

liquid

refractive index

n20/D 1.526 (lit.)

refractive index

n20/D 1.601 (lit.)

refractive index

n20/D 1.521 (lit.)

refractive index

n20/D 1.536 (lit.)

bp

101-104 °C/33 mmHg (lit.)

bp

242-243 °C (lit.)

bp

105-106 °C/75 mmHg (lit.)

bp

130 °C/9 mmHg (lit.)

density

1.078 g/mL at 25 °C (lit.)

density

1.125 g/mL at 25 °C (lit.)

density

0.962 g/mL at 25 °C (lit.)

density

1.369 g/mL at 25 °C (lit.)

Quality Level

100

Quality Level

200

Quality Level

100

Quality Level

100

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

Flame

Signal Word

Warning

Hazard Statements

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

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