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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
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)
Cheng Guo et al.
Organic & biomolecular chemistry, 10(35), 7070-7077 (2012-08-08)
In mass spectrometry of protonated N-phenylcinnamides, the carbonyl oxygen is the thermodynamically most favorable protonation site and the added proton is initially localized on it. Upon collisional activation, the proton transfers from the carbonyl oxygen to the dissociative protonation site
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