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 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
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
Regulatory Information
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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
W A Smith et al.
Mutation research, 425(1), 143-152 (1999-03-20)
The large (>2000) and expanding number of natural and synthetic agents with potential cancer chemopreventive properties renders it economically and physically impossible to test each of these agents for their efficacy in the widely accepted 2-year animal bioassay and clinical
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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 227269-5G | 04061838780690 |
| 227269-25G | 04061836825836 |