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Merck
CN

456179

Sigma-Aldrich

苯乙基异氰酸酯

98%

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关于此项目

线性分子式:
C6H5CH2CH2NCO
化学文摘社编号:
分子量:
147.17
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
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质量水平

方案

98%

折射率

n20/D 1.522 (lit.)

沸点

210 °C (lit.)

密度

1.063 g/mL at 25 °C (lit.)

官能团

amine
isocyanate
phenyl

SMILES字符串

O=C=NCCc1ccccc1

InChI

1S/C9H9NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2

InChI key

HACRKYQRZABURO-UHFFFAOYSA-N

警示用语:

Danger

危险分类

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 2 - Resp. Sens. 1 - Skin Corr. 1A - Skin Sens. 1

储存分类代码

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

WGK

WGK 2

闪点(°F)

212.0 °F - closed cup

闪点(°C)

100 °C - closed cup

个人防护装备

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

法规信息

危险化学品
此项目有

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Q S Yu et al.
FEBS letters, 221(2), 325-326 (1987-09-14)
The S-configuration for (+)-primaquine prepared from the racemate by chemical resolution was established by solid-state X-ray analysis of the (+)-1-phenylethylurea obtained with R-(+)-1-phenylethylisocyanate.
H G Schaefer et al.
Journal of chromatography, 527(2), 351-359 (1990-05-18)
A reversed-phase high-performance liquid chromatographic method is described, which allows the simultaneous quantification of propranolol and 4-hydroxypropranolol enantiomers in human plasma. After extraction from plasma (pH 10.5) using ethyl acetate, the enantiomers are derivatized with R-(+)-phenylethylisocyanate as chiral derivatization reagent
A new synthesis of isocyanates.
Gittos MW, et al.
Journal of the Chemical Society. Perkin Transactions 1, 2, 141-143 (1976)
Peter Rose et al.
World journal of gastroenterology, 11(26), 3990-3997 (2005-07-05)
Hydrogen sulfide (H(2)S) is a prominent gaseous constituent of the gastrointestinal (GI) tract with known cytotoxic properties. Endogenous concentrations of H(2)S are reported to range between 0.2-3.4 mmol/L in the GI tract of mice and humans. Considering such high levels
H Spahn-Langguth et al.
Journal of analytical toxicology, 15(6), 327-331 (1991-11-01)
For the enantiospecific assay of propranolol in biological material, formation of diastereomeric derivatives is one possible approach. The aim of the present study was the development and optimization of three analytical methods based on different chiral reagents: phenylethylisocyanate and the

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