487406
4-甲氧苄基异氰酸酯
98%
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关于此项目
线性分子式:
CH3OC6H4CH2NCO
化学文摘社编号:
分子量:
163.17
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
Quality Segment
assay
98%
refractive index
n20/D 1.433 (lit.)
bp
60-66 °C/0.6 mmHg (lit.)
density
1.143 g/mL at 25 °C (lit.)
functional group
amine, isocyanate
storage temp.
2-8°C
SMILES string
COc1ccc(CN=C=O)cc1
InChI
1S/C9H9NO2/c1-12-9-4-2-8(3-5-9)6-10-7-11/h2-5H,6H2,1H3
InChI key
QRBHVARIMDDOOV-UHFFFAOYSA-N
General description
4-Methoxybenzyl isocyanate (PMBNCO), also known as p-methoxybenzyl isocyanate, is an organic building block containing an isocyanate group. Its enthalpy of vaporization at boiling point has been reported.
Application
4-Methoxybenzyl isocyanate (p-Methoxybenzyl isocyanate) may be used in the synthesis of 1-(4-methoxybenzyl)-3-{2-[(4-nitrophenyl)amino]ethyl}urea and 1-(4-methoxybenzyl)-3-{2-[(5-nitropyridin-2-yl)amino]ethyl} urea.
It may be used in the multi-step synthesis of:
It may be used in the multi-step synthesis of:
- diimidazodiazepine containing 5:7:5-fused heterocycle
- 2-deoxy-2-ureido-D-ribo-hexulofuranosonamide
- bicyclic guanidine core of batzelladine A
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
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter