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78780

Phenyl isothiocyanate

Name: Phenyl isothiocyanate
Brand: SIAL

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

Assay:

≥99.0%

Form:

liquid

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Properties

Quality Level

200

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

SMILES string

S=C=Nc1ccccc1

InChI

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

InChI key

QKFJKGMPGYROCL-UHFFFAOYSA-N

Description

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.

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.

Other Notes

Discover LiChropur reagents ideal for HPLC or LC-MS analysis

Disclaimer

Store under Argon

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pictograms

GHS06,GHS08,GHS05

signalword

Danger

hcodes

H301,H314,H317,H334

pcodes

P261 - P272 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338

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

Regulatory Information

危险化学品

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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)

A convenient synthesis of 2-imino-1,3-thiazine-4-one derivatives from the reaction of primary amines and phenyl isothiocyanate in the presence of acryloyl chloride.

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.

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Global Trade Item Number

SKU	GTIN
78780-25ML	04061832947266
78780-100ML	04061832947259
78780-500ML	04061837370373