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
Beilstein:
636508
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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.)
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
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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).
Signal Word
Warning
Hazard Statements
Precautionary 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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Monica Brivio et al.
Analytical chemistry, 77(21), 6852-6856 (2005-11-01)
The reaction of propyl isocyanate (2), benzyl isocyanate (3), and toluene-2,4-diisocyanate (4) with 4-nitro-7-piperazino-2,1,3-benzoxadiazole (1) to yield the corresponding urea derivatives 5 was carried out in a continuous flow glass microfluidics chip. Real-time monitoring of the derivatization reactions was done
Tamara L Church et al.
Journal of the American Chemical Society, 129(26), 8156-8162 (2007-06-15)
The use of mechanistic information to develop a new, catalytic multicomponent reaction is described. The complex [(salph)Al(THF)2]+[Co(CO)4]- (1, salph = N,N'-o-phenylenebis(3,5-di-tert-butylsalicylideneimine), THF = tetrahydrofuran), which is known to carbonylate epoxides, aziridines, and beta-lactones, was used to catalyze the synthesis of
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W A Smith et al.
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A benzylureido-β-cyclodextrin was synthesized by the reaction of 6-amino-β-cyclodextrin with an active benzyl isocyanate. Then, it was bonded to silica gel by a thiol-ene addition reaction, obtaining a new benzylureido-β-cyclodextrin-based chiral stationary phase (BzCDP). Its chemical structure was characterized by
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 227269-25G | 4061836825836 |
| 227269-5G | 4061838780690 |
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