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Merck
CN

456179

Phenethyl isocyanate

98%

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About This Item

Linear Formula:
C6H5CH2CH2NCO
CAS Number:
1943-82-4
Molecular Weight:
147.17
NACRES:
NA.22
PubChem Substance ID:
24869132
UNSPSC Code:
12352100
EC Number:
413-080-0
MDL number:
MFCD00037044
Assay:
98%

Key Documents

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Product Name

Phenethyl isocyanate, 98%

InChI key

HACRKYQRZABURO-UHFFFAOYSA-N

InChI

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

SMILES string

O=C=NCCc1ccccc1

assay

98%

refractive index

n20/D 1.522 (lit.)

bp

210 °C (lit.)

density

1.063 g/mL at 25 °C (lit.)

functional group

amine
isocyanate
phenyl

Quality Level

100

Related Categories

signalword

Danger

Hazard Classifications

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

Storage Class

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

wgk

WGK 2

flash_point_f

212.0 °F - closed cup

flash_point_c

100 °C - closed cup

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
09312DU
05012AC
04013EC
01611HS
16112BO

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A new synthesis of isocyanates.
Gittos MW, et al.
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.
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
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
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