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Merck

456179

Sigma-Aldrich

苯乙基异氰酸酯

98%

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About This Item

线性分子式:
C6H5CH2CH2NCO
CAS号:
分子量:
147.17
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

化驗

98%

折射率

n20/D 1.522 (lit.)

bp

210 °C (lit.)

密度

1.063 g/mL at 25 °C (lit.)

SMILES 字串

O=C=NCCc1ccccc1

InChI

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

InChI 密鑰

HACRKYQRZABURO-UHFFFAOYSA-N

訊號詞

Danger

危險分類

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

儲存類別代碼

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

水污染物質分類(WGK)

WGK 2

閃點(°F)

212.0 °F - closed cup

閃點(°C)

100 °C - closed cup

個人防護裝備

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


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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
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.
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Journal of the Chemical Society. Perkin Transactions 1, 2, 141-143 (1976)
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.

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