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78780

Sigma-Aldrich

Phenyl isothiocyanate

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

Synonyme(s) :

PITC

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About This Item

Formule linéaire :
C6H5NCS
Numéro CAS:
103-72-0
Poids moléculaire :
135.19
Numéro Beilstein :
471392
Numéro CE :
203-138-1
Numéro MDL:
MFCD00004798
Code UNSPSC :
12352100
ID de substance PubChem :
57652756
Nomenclature NACRES :
NA.21

Niveau de qualité

200

Pureté

≥99.0%

Forme

liquid

Qualité

for HPLC derivatization, the detection of alcohols and amines

Indice de réfraction

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

Point d'ébullition

218 °C (lit.)

Pf

−21 °C (lit.)

Solubilité

water: insoluble

Densité

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

Température de stockage

2-8°C

Chaîne SMILES 

S=C=Nc1ccccc1

InChI

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

Clé InChI

QKFJKGMPGYROCL-UHFFFAOYSA-N

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Description générale

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.

Application

Phenyl isothiocyanate may be employed as a derivatization reagent for high-performance liquid chromatographic (HPLC) analysis of various amphetamine derivatives in body fluids.
Derivatizing reagent for primary and secondary amines. Used in sequencing peptides by Edman degradation and in amino acid analyses by HPLC.

Attention

Store under Argon

Produits recommandés

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Pictogrammes

Skull and crossbonesHealth hazardCorrosion
GHS06,GHS08,GHS05

Mention d'avertissement

Danger

Mentions de danger

H301,H314,H317,H334

Classification des risques

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

Code de la classe de stockage

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

Classe de danger pour l'eau (WGK)

WGK 3

Point d'éclair (°F)

190.4 °F - closed cup

Point d'éclair (°C)

88 °C - closed cup

Équipement de protection individuelle

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

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Certificats d'analyse (COA)

Lot/Batch Number
BCCK3507
BCCG8125
BCCD5138
BCBL8662V
BCBZ7223

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Consulter la Bibliothèque de documents

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)
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.
Jiapeng Leng et al.
Journal of the American Society for Mass Spectrometry, 22(7), 1204-1213 (2011-09-29)
A multifunctional isothiocyanate-based isotope labeling reagent, [d (0)]-/[d (6)]-4,6-dimethoxy pyrimidine-2-isothiocyanate (DMPITC), has been developed for accurate N-terminus identification in peptide sequencing and comparative protein analysis by ESI Ion-trap TOF mass spectrometry. In contrast with the conventional labeling reagent phenyl isothiocyanate
Akira Murakami et al.
BioFactors (Oxford, England), 30(1), 1-11 (2008-01-17)
Osteoclastogenesis is induced by differentiation of hemopoietic cells of monocyte-macrophage lineage into bone-resorbing osteoclasts. The process is initiated by receptor activator of NF-kappaB ligand (RANKL) and resultant activation of mitogen-activated protein kinases (MAPK), including extracellular signal-regulated kinase (ERK)1/2, as well
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