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Merck

78780

Phenyl isothiocyanate

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

Synonym(s):

PITC

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About This Item

Linear Formula:
C6H5NCS
CAS Number:
103-72-0
Molecular Weight:
135.19
UNSPSC Code:
12352100
NACRES:
NA.21
PubChem Substance ID:
57652756
EC Number:
203-138-1
Beilstein/REAXYS Number:
471392
MDL number:
MFCD00004798

Product Name

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

InChI key

QKFJKGMPGYROCL-UHFFFAOYSA-N

InChI

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

SMILES string

S=C=Nc1ccccc1

assay

≥99.0%

form

liquid

quality

for HPLC derivatization, the detection of alcohols and amines

refractive index

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

bp

218 °C (lit.)

mp

−21 °C (lit.)

solubility

water: insoluble

density

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

storage temp.

2-8°C

Quality Level

200

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Related Categories

Application

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

Disclaimer

Store under Argon

General description

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.

Other Notes

Discover LiChropur reagents ideal for HPLC or LC-MS analysis

signalword

Danger

Hazard Classifications

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

Storage Class

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

wgk

WGK 3

flash_point_f

190.4 °F - closed cup

flash_point_c

88 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM8732
BCCM7882
BCCK3507
BCCG8125
BCCD5138

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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.
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
Tomoyuki Oe et al.
Rapid communications in mass spectrometry : RCM, 24(2), 173-179 (2009-12-17)
This manuscript describes the results of a preliminary experiment performed as 'proof of concept' of a novel approach to absolute quantitation of proteins without the use of standard proteins. Absolute quantitation remains a challenging issue in the proteomics field. Therefore
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