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Sigma-Aldrich

Phenylisothiocyanat

for HPLC derivatization, the detection of alcohols and amines, ≥99.0%

Synonym(e):

PITC, Phenylsenföl

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About This Item

Lineare Formel:
C6H5NCS
CAS-Nummer:
103-72-0
Molekulargewicht:
135.19
Beilstein:
471392
EG-Nummer:
203-138-1
MDL-Nummer:
MFCD00004798
UNSPSC-Code:
12352100
PubChem Substanz-ID:
57652756
NACRES:
NA.21

Qualitätsniveau

200

Assay

≥99.0%

Form

liquid

Qualität

for HPLC derivatization, the detection of alcohols and amines

Brechungsindex

n20/D 1.649
n20/D 1.6515 (lit.)

bp

218 °C (lit.)

mp (Schmelzpunkt)

−21 °C (lit.)

Löslichkeit

water: insoluble

Dichte

1.13 g/mL at 20 °C
1.132 g/mL at 20 °C (lit.)

Lagertemp.

2-8°C

SMILES String

S=C=Nc1ccccc1

InChI

1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H

InChIKey

QKFJKGMPGYROCL-UHFFFAOYSA-N

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Allgemeine Beschreibung

Phenyl isothiocyanate is an aromatic isothiocyanate. It participates in dehydration reactions of alcohols. It is widely used for synthesis of various biologically important heterocyclic compounds.

Anwendung

Phenyl isothiocyanate may be employed as a derivatization reagent for high-performance liquid chromatographic (HPLC) analysis of various amphetamine derivatives in body fluids.
Derivatisierungsreagens für primäre und sekundäre Amine. Wird gebraucht für die Peptidsequenzierung mittels Edman Abbau und für die Aminosäuren-Analyse mittels HPLC

Vorsicht

Store under Argon

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Signalwort

Danger

Gefahreneinstufungen

Acute Tox. 3 Oral - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1

Lagerklassenschlüssel

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flammpunkt (°F)

190.4 °F - closed cup

Flammpunkt (°C)

88 °C - closed cup

Persönliche Schutzausrüstung

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

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Analysenzertifikate (COA)

Lot/Batch Number
BCCK3507
BCCG8125
BCCD5138
BCBL8662V
BCBZ7223

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Amin Zolali et al.
Combinatorial chemistry & high throughput screening, 17(7), 610-613 (2014-03-19)
An efficient, one-pot and three-component synthesis of biologically important heterocyclic compounds is described from the reaction of primary amines and phenyl isothiocyanate in the presence of acryloyl chloride at room temperature without the need to use any catalyst.
One-pot dehydrations using phenyl isothiocyanate.
Majetich G, et al.
Tetrahedron Letters, 56(23), 3326-3329 (2015)
Determination of phenylisothiocyanate derivatives of amphetamine and its analogues in biological fluids by HPLC-APCI-MS or DAD.
Bogusz MJ, et al.
Journal of Analytical Toxicology, 21(1), 59-69 (1997)
R Gheshlaghi et al.
Analytical biochemistry, 383(1), 93-102 (2008-08-30)
Modified resolution and overall separation factors used to quantify the separation of complex chromatography systems are described. These factors were proven to be applicable to the optimization of amino acid resolution in reverse-phase (RP) HPLC chromatograms. To optimize precolumn derivatization
R Thippeswamy et al.
Journal of agricultural and food chemistry, 54(19), 7014-7019 (2006-09-14)
Two liquid chromatographic methods that involve precolumn derivatization with o-phthaladehyde (OPA) and phenylisothiocyanate (PITC) with fluorescence and diode array UV detection for the determination of theanine have been developed. The chromatographic separations were achieved by reverse-phase high-performance liquid chromatography using
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