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Merck
CN

185353

Sigma-Aldrich

异氰酸苯酯

≥98%

别名:

Isocyanatobenzene, PhNCO

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关于此项目

线性分子式:
C6H5NCO
化学文摘社编号:
分子量:
119.12
Beilstein:
471391
EC 号:
MDL编号:
UNSPSC代码:
12352100
eCl@ss:
39031801
PubChem化学物质编号:
NACRES:
NA.22
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蒸汽压

1.4 mmHg ( 20 °C)

质量水平

方案

≥98%

表单

liquid

折射率

n20/D 1.535 (lit.)

沸点

162-163 °C (lit.)

mp

−30 °C (lit.)

密度

1.096 g/mL at 25 °C (lit.)

官能团

isocyanate

储存温度

2-8°C

SMILES字符串

O=C=Nc1ccccc1

InChI

1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H

InChI key

DGTNSSLYPYDJGL-UHFFFAOYSA-N

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一般描述

Phenyl isocyanate reacts with ethyl alcohol to yield ethyl α,γ-diphenylallophanate and trace of phenyl isocyanate dimer.

应用

Phenyl isocyanate (PhNCO) can undergo addition reaction with primary nitroparaffins in the presence of a tertiary alkyl amine catalyst to form sym-disubstituted urea and furoxane. It can also react with cyclohexadienones to form vicinal diamine-containing heterocycle derivatives.
Phenyl isocyanate was used to prepare chemically modified cellulose paper. It was used in the synthesis of functionalized graphene oxide nanoplatelets.

警示用语:

Danger

危险分类

Acute Tox. 1 Inhalation - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Corr. 1C - Skin Sens. 1A - STOT SE 3

靶器官

Respiratory system

储存分类代码

3 - Flammable liquids

WGK

WGK 2

闪点(°F)

123.8 °F - closed cup

闪点(°C)

51 °C - closed cup

个人防护装备

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

法规信息

监管及禁止进口产品
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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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The Reactions of Primary Nitroparaffins with Isocyanates1
Mukaiyama T and Hoshino T
Journal of the American Chemical Society, 82(20), 5339-5342 (1960)
DBU-Catalyzed Desymmetrization of Cyclohexadienones: Access to Vicinal Diamine-Containing Heterocycles
Jin H, et al.
Organic Letters, 20(16), 5006-5009 (2018)
New Reactions of Phenyl Isocyanate and Ethyl Alcohol1.
Kogon IC.
Journal of the American Chemical Society, 78(19), 4911-4914 (1956)
Synthesis and exfoliation of isocyanate-treated graphene oxide nanoplatelets.
Stankovich S, et al.
Carbon, 44(15), 3342-3347 (2006)
H Tinnerberg et al.
Journal of occupational and environmental hygiene, 5(10), 629-632 (2008-07-31)
There are few studies on phenylisocyanate (PhI) exposure, although there are studies indicating that PhI is a very potent chemical sensitizer. The aim of this study was to evaluate aniline in urine and plasma as possible biomarkers of exposure to

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