185353
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
NACRES:
NA.22
PubChem Substance ID:
eCl@ss:
39031801
UNSPSC Code:
12352100
EC Number:
203-137-6
MDL number:
Beilstein/REAXYS Number:
471391
Assay:
≥98%
Form:
liquid
InChI key
DGTNSSLYPYDJGL-UHFFFAOYSA-N
InChI
1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H
SMILES string
O=C=Nc1ccccc1
vapor pressure
1.4 mmHg ( 20 °C)
assay
≥98%
form
liquid
refractive index
n20/D 1.535 (lit.)
bp
162-163 °C (lit.)
mp
−30 °C (lit.)
density
1.096 g/mL at 25 °C (lit.)
functional group
isocyanate
storage temp.
2-8°C
Quality Level
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General description
Phenyl isocyanate reacts with ethyl alcohol to yield ethyl α,γ-diphenylallophanate and trace of phenyl isocyanate dimer.
Application
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.
signalword
Danger
Hazard Classifications
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
target_organs
Respiratory system
存储类别
3 - Flammable liquids
wgk
WGK 2
flash_point_f
123.8 °F - closed cup
flash_point_c
51 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
法规信息
监管及禁止进口产品
此项目有
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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