227269
Benzyl isocyanate
99%
Synonym(s):
α-Isocyanatotoluene, (Isocyanatomethyl)benzene, 1-(Isocyanatomethyl)benzene, Phenylmethyl isocyanate
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About This Item
Linear Formula:
C6H5CH2NCO
CAS Number:
Molecular Weight:
133.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
221-640-9
Beilstein/REAXYS Number:
636508
MDL number:
Assay:
99%
Form:
liquid
Quality Segment
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
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).
signalword
Warning
hcodes
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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