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139742

Sigma-Aldrich

Phenyl isothiocyanate

reagent grade, 98%

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Synonym(s):
PITC
Linear Formula:
C6H5NCS
CAS Number:
Molecular Weight:
135.19
Beilstein:
471392
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

grade

reagent grade

Quality Level

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.)

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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This Item
78780317861P1034
Phenyl isothiocyanate reagent grade, 98%

Sigma-Aldrich

139742

Phenyl isothiocyanate

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

Sigma-Aldrich

78780

Phenyl isothiocyanate

Phenyl isothiocyanate 99%, for protein sequencing

Sigma-Aldrich

317861

Phenyl isothiocyanate

Phenyl isothiocyanate Sigma Grade, 8.36 M, suitable for solid phase protein sequencing analysis, ≥99% (GC), liquid

Sigma-Aldrich

P1034

Phenyl isothiocyanate

assay

98%

assay

≥99.0%

assay

99%

assay

≥99% (GC)

form

liquid

form

liquid

form

liquid

form

liquid

mp

−21 °C (lit.)

mp

−21 °C (lit.)

mp

−21 °C (lit.)

mp

−21 °C (lit.)

solubility

water: insoluble

solubility

water: insoluble

solubility

water: insoluble

solubility

-

density

1.132 g/mL at 20 °C (lit.)

density

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

density

1.132 g/mL at 20 °C (lit.)

density

1.132 g/mL at 20 °C (lit.)

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 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.
Derivatizing reagent for primary and secondary amines. Used in sequencing peptides by Edman degradation and in amino acid analyses by HPLC.

Signal Word

Danger

Hazard Statements

Hazard Classifications

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

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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T1503
Product Number
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25G
Pack Size/Quantity

Additional examples:

705578-5MG-PW

PL860-CGA/SHF-1EA

MMYOMAG-74K-13

1000309185

enter as 1.000309185)

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Customers Also Viewed

PEGylation of human serum albumin: reaction of PEG-phenyl-isothiocyanate with protein
Meng F, et al.
Bioconjugate Chemistry, 19(7), 1352-1360 (2008)
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.
Fantao Meng et al.
Bioconjugate chemistry, 19(7), 1352-1360 (2008-06-25)
Successful and cost-effective PEGylation protocols require pure functionalized PEG reagents, which can be synthesized by simple and efficient procedures, exhibit high stability against hydrolysis, and maintain a level of reactivity with protein functional groups under mild reaction conditions. PEG-phenyl-isothiocyanate (PIT-PEG)

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