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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

Key Documents

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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
BCCG8125
BCCD5138
BCBL8662V
BCBZ7223
BCBW7171

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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)
One-pot dehydrations using phenyl isothiocyanate.
Majetich G, et al.
Tetrahedron Letters, 56(23), 3326-3329 (2015)
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.
Misako Aito-Inoue et al.
Journal of agricultural and food chemistry, 54(15), 5261-5266 (2006-07-20)
For the isolation and detection of food-derived peptides in blood, an approach based on the derivatization of peptides with phenyl isothiocyanate (PITC) was developed. This approach allows hydrophilic peptides to be resolved and specifically detected by reversed-phase (RP) HPLC. For
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
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