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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

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)
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
Andreas Habel et al.
Journal of chromatography. A, 1165(1-2), 182-190 (2007-08-19)
1-phenylethyl isocyanate (1-PEIC), a chiral derivatisation reagent for the resolution of secondary alcohols is a powerful tool to determine the configuration and enantiomeric excess of medium- to long-chain secondary alcohols by capillary gas chromatography. The separation of 1-phenylethylcarbamates (1-PECs) of
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
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