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About This Item

Linear Formula:
C6H5NCS
CAS Number:
Molecular Weight:
135.19
Beilstein/REAXYS Number:
471392
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.21
Assay:
98%
Grade:
reagent grade
Form:
liquid
Solubility:
water: insoluble
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Product Name

Phenyl isothiocyanate, reagent grade, 98%

grade

reagent grade

assay

98%

form

liquid

refractive index

n20/D 1.6515 (lit.)

bp

218 °C (lit.)

mp

−21 °C (lit.)

solubility

water: insoluble

density

1.132 g/mL at 20 °C (lit.)

functional group

isothiocyanate

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

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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 for forensic purposes.
Phenyl isothiocyanate (PIT) modified with polyethylene glycol (PEG), can be used as a reagent for PEGylation of protein using human serum albumin as a model protein.

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_germany

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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