Phenyl isothiocyanate, 97%, Thermo Scientific Chemicals

Description

Phenyl isothiocyanate acts as a derivatizing reagent for primary and secondary amines. It is used in sequencing peptides by Edman degradation and in amino acid analyses by HPLC. It is used for derivatizing N-terminal amino acids of proteins for automated sequential analysis. It is a synthon for dithiadiazafulvalenes.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Phenyl isothiocyanate acts as a derivatizing reagent for primary and secondary amines. It is used in sequencing peptides by Edman degradation and in amino acid analyses by HPLC. It is used for derivatizing N-terminal amino acids of proteins for automated sequential analysis. It is a synthon for dithiadiazafulvalenes.

Solubility
Soluble in alcohol, and ether. Insoluble in water.

Notes
Moisture Sensitive. Protect from humidity and water. Store under dry inert gas away from oxidizing agents and moisture. Store at 4°C.

Specifications

Chemical Identifiers

• CAS: 103-72-0
• Molecular Formula: C7H5NS
• Molecular Weight (g/mol): 135.18
• MDL Number: MFCD00004798
• InChI Key: QKFJKGMPGYROCL-UHFFFAOYSA-N
• Synonym: phenyl isothiocyanate, phenylisothiocyanate, thiocarbanil, phenyl mustard oil, benzene, isothiocyanato, pitc, isothiocyanic acid phenyl ester, benzene-1-isothiocyanate, phenylsenfoel, phenyl thioisocyanate
• PubChem CID: 7673
• ChEBI: CHEBI:85103
• IUPAC Name: isothiocyanatobenzene
• SMILES: S=C=NC1=CC=CC=C1

• Melting Point: -21°C
• Density: 1.131
• Boiling Point: 220°C to 221°C
• Flash Point: 87°C (188°F)
• Odor: Pungent
• Refractive Index: 1.65
• Quantity: 100 g
• UN Number: UN2927
• Beilstein: 471392
• Sensitivity: Moisture sensitive
• Merck Index: 14,7297
• Solubility Information: Soluble in alcohol,and ether. Insoluble in water.
• Formula Weight: 135.19
• Percent Purity: 97%
• Chemical Name or Material: Phenyl isothiocyanate

Safety and Handling

Hazard Category

• Acute toxicity Category 3
• LONG-TERM AQUATIC HAZARD Chronic 1
• ACUTE AQUATIC Acute 1
• Serious eye damage/eye irritation Category 1
• Respiratory sensitiser Category 1
• Skin corrosion/irritation Category 1 B
• Skin sensitiser Category 1

Hazard Statement

• H301-Toxic if swallowed.
• H314-Causes severe skin burns and eye damage.
• H317-May cause an allergic skin reaction.
• H318-Causes serious eye damage.
• H334-May cause allergy or asthma symptoms or breathing difficulties if inhaled.
• H400-Very toxic to aquatic life.
• H410-Very toxic to aquatic life with long lasting effects.

Precautionary Statement

• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P284-¢In case of inadequate ventilation! wear respiratory protection.
• P301+P330+P331-IF SWALLOWED: rinse mouth. Do NOT induce vomiting.
• P303+P361+P353-IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/ shower.
• P304+P340-IF INHALED: Remove person to fresh air and keep comfortable for breathing.
• P305+P351+P338-IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
• P310-Immediately call a POISON CENTER/doctor/.

RUO – Research Use Only