Skip to Content
Merck

Key Documents

View All Documentation

78780

Phenyl isothiocyanate

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

Synonym(s):

PITC

Sign In to View Organizational & Contract Pricing.

Select a Size

Change View

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
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

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

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

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.

Other Notes

Discover LiChropur reagents ideal for HPLC or LC-MS analysis

Disclaimer

Store under Argon

Still not finding the right product?

Explore all of our products under Phenyl isothiocyanate

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Group 4: Flammable liquids + Type 3 petroleums + Hazardous rank III + Water insoluble liquid

fsl

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
1413124
1204075
037905/1
016032/1
012371/1

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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.
View All Related Papers