139742

Phenyl isothiocyanate

reagent grade, 98%

• Synonym(s): PITC
• Linear Formula: C₆H₅NCS
• CAS Number: 103-72-0
• Molecular Weight: 135.19
• Beilstein: 471392
• EC Number: 203-138-1
• MDL number: MFCD00004798
• UNSPSC Code: 12352100
• PubChem Substance ID: 24848430
• NACRES: NA.21
• grade: reagent grade
• form: liquid
• solubility: water: insoluble

Properties

• grade: reagent grade
• Quality Level: 200
• 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

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

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.

Safety Information

• Pictograms: GHS06,GHS08,GHS05
• Signal Word: Danger
• Hazard Statements: H301,H314,H317,H334
• Precautionary Statements: 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 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