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456179

Sigma-Aldrich

Phenethyl isocyanate

98%

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About This Item

Fórmula lineal:
C6H5CH2CH2NCO
Número de CAS:
1943-82-4
Peso molecular:
147.17
EC Number:
413-080-0
MDL number:
MFCD00037044
UNSPSC Code:
12352100
PubChem Substance ID:
24869132
NACRES:
NA.22

assay

98%

refractive index

n20/D 1.522 (lit.)

bp

210 °C (lit.)

density

1.063 g/mL at 25 °C (lit.)

SMILES string

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

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_germany

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

Certificados de análisis (COA)

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Butyl isocyanate 98%

Sigma-Aldrich

B95736

Butyl isocyanate

Phenyl isothiocyanate reagent grade, 98%

Sigma-Aldrich

139742

Phenyl isothiocyanate

J Gal et al.
Drug metabolism and disposition: the biological fate of chemicals, 9(6), 557-560 (1981-11-01)
Chiral secondary alcohols were treated with (S)-(-)-1-phenylethyl isocyanate. For each racemic alcohol, the resulting diastereomeric urethane derivatives were resolved on flexible fused-silica capillary GLC columns with retention times of 15 min or less. Derivatization of individual enantiomers showed that the
Silica gel high-performance liquid chromatography for the simultaneous determination of propranolol and 4-hydroxypropranolol enantiomers after chiral derivatization.
M J Wilson et al.
Journal of chromatography, 310(2), 424-430 (1984-10-12)
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
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