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安全信息

487406

Sigma-Aldrich

4-甲氧苄基异氰酸酯

98%

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线性分子式:
CH3OC6H4CH2NCO
CAS号:
56651-60-6
分子量:
163.17
MDL编号:
MFCD00673064
PubChem化学物质编号:
24872270
NACRES:
NA.22

质量水平

100

检测方案

98%

折射率

n20/D 1.433 (lit.)

bp

60-66 °C/0.6 mmHg (lit.)

密度

1.143 g/mL at 25 °C (lit.)

储存温度

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

相关类别

一般描述

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.

应用

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:
  • diimidazodiazepine containing 5:7:5-fused heterocycle
  • 2-deoxy-2-ureido-D-ribo-hexulofuranosonamide
  • bicyclic guanidine core of batzelladine A

象形图

Exclamation markHealth hazard
GHS07,GHS08

警示用语：

Danger

危险分类

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

靶器官

Respiratory system

储存分类代码

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

闪点(°F)

235.4 °F - closed cup

闪点(°C)

113 °C - closed cup

个人防护装备

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

法规信息

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Raj Kumar et al.
Organic letters, 10(20), 4681-4684 (2008-09-26)
The first synthesis of a novel 5:7:5-fused heterocyclic ring system, a diimidazodiazepine, is reported. The propensity of the ring system to undergo facile, acid-catalyzed nucleophilic addition reactions by neutral carbon and nitrogen nucleophiles has been explored. The ring system has
Tomasz M Wróbel et al.
Journal of enzyme inhibition and medicinal chemistry, 31(4), 608-618 (2015-06-27)
A series of urea derivatives bearing nitroaryl moiety has been synthesized and assayed for their potential antiproliferative activities. Some of the tested compounds displayed activity in RK33 laryngeal cancer cells and TE671 rhabdomyosarcoma cells while being generally less toxic to
Synthesis and herbicidal activity of opened hydantoin-ring derivatives of hydantocidin.
Hiromi S, et al.
Bioscience, Biotechnology, and Biochemistry, 60(7), 1198-1200 (1996)
Michael A Arnold et al.
Journal of the American Chemical Society, 128(40), 13255-13260 (2006-10-05)
A diastereoselective [4 + 2]-annulation of vinyl carbodiimides with chiral N-alkyl imines has been developed to access the stereochemically rich polycyclic guanidine cores of the batzelladine alkaloids. Application of this strategy, together with additional key steps such as long-range directed
Yaws CL.
Thermophysical Properties of Chemicals and Hydrocarbons, 567-567 (2014)

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