308188
Benzoyl isocyanate
technical grade, 90%
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About This Item
Linear Formula:
C6H5CONCO
CAS Number:
Molecular Weight:
147.13
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
224-717-5
MDL number:
Assay:
90%
grade
technical grade
Quality Level
assay
90%
refractive index
n20/D 1.5514 (lit.)
bp
94-96 °C/21 mmHg (lit.)
density
1.171 g/mL at 25 °C (lit.)
functional group
amine, isocyanate, phenyl
storage temp.
−20°C
SMILES string
O=C=NC(=O)c1ccccc1
InChI
1S/C8H5NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5H
InChI key
LURYMYITPCOQAU-UHFFFAOYSA-N
General description
The reaction mechanism of benzoyl isocyanate with 6-benzyl-6-azabicyclo[2.2.1]hept-2-ene was studied.
Application
Benzoyl isocyanate was used as a capping reagent for low-reactivity hydroxy groups in the solid-phase-supported oligosaccharide synthesis.
signalword
Danger
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
161.6 °F - closed cup
flash_point_c
72 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Xiangyang Wu et al.
The Journal of organic chemistry, 69(6), 1853-1857 (2004-04-03)
Solid-phase-supported oligosaccharide synthesis of a core N-glycan tetrasaccharide and of a trisaccharide containing the Galili antigen is reported. The synthesis is based on a hydroxymethylbenzyl benzoate spacer-linker system attached to the Merrifield resin, O-Fmoc-protected O-glycosyl trichloroacetimidates as glycosyl donors, and
Cong Zhang et al.
The journal of physical chemistry. A, 114(8), 2913-2919 (2010-02-09)
Reaction mechanisms of the 6-benzyl-6-azabicyclo[2.2.1]hept-2-ene with benzoyl isocyanate have been investigated using density functional theory (DFT) at the B3LYP/6-31G(d,p) level of theory. The reaction proceeding along six competitive channels includes two categories. That is, two channels are formally [3,3]-sigmatropic rearrangements
P Madhusudhana Reddy et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 186, 8-16 (2017-06-11)
Sensing of F
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 308188-5G | 04061826674499 |
| 308188-1G | 04061836826307 |