3-(Methylthio)phenyl isocyanate, 96%, Thermo Scientific Chemicals

Description

3-(Methylthio)phenyl isocyanate is used as a coupling reagent, N-protecting reagent and as gas chromatography derivatizing reagent.

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
3-(Methylthio)phenyl isocyanate is used as a coupling reagent, N-protecting reagent and as gas chromatography derivatizing reagent.

Solubility
Hydrolyzes in water.

Notes
Keep container tightly sealed. Store in cool, dry conditions in well sealed containers. Incompatible with oxidizing agents, amines and alcohols. It is sensitive to moisture. Store under dry inert gas.

Specifications

Chemical Identifiers

• CAS: 28479-19-8
• Molecular Formula: C8H7NOS
• Molecular Weight (g/mol): 165.21
• MDL Number: MFCD00013863
• InChI Key: BKJABLMNBSVKCV-UHFFFAOYSA-N
• Synonym: 3-methylthio phenyl isocyanate, 1-isocyanato-3-methylthio benzene, 3-methylthiophenyl isocyanate, 1-isocyanato-3-methylsulfanyl benzene, 1-isocyanato-3-methylsulfanyl-benzene, 3-methylthio phenylisocyanate, benzene, 1-isocyanato-3-methylthio, 3-methylthiobenzenisocyanate, acmc-20anig, pubchem14329
• PubChem CID: 141418
• IUPAC Name: 1-isocyanato-3-methylsulfanylbenzene
• SMILES: CSC1=CC=CC(=C1)N=C=O

• Density: 1.199
• Boiling Point: 129°C to 130°C (5 mmHg)
• Flash Point: 113°C (235°F)
• Refractive Index: 1.603
• Quantity: 5 g
• UN Number: UN2206
• Beilstein: 387507
• Sensitivity: Moisture sensitive
• Solubility Information: Hydrolyzes in water.
• Formula Weight: 165.22
• Percent Purity: 96%
• Chemical Name or Material: 3-(Methylthio)phenyl isocyanate

Safety and Handling

Hazard Category	H302-H317-H335
Hazard Statement	GHS H Statement H331-H334-H302-H315-H319-H335 Toxic if inhaled. May cause allergy or asthma symptoms or breathing difficulties if inhaled. Harmful if swallowed. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P261-P264b-P270-P271-P272-P280g-P301+P312-P302+P352-P304+P340-P312-P330-P333+P313-P363-P501c
DOTInformation	Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: ISOCYANATES, TOXIC, N.O.S.
EINECSNumber	000-000-0
TSCA	No
Recommended Storage	Keep cold

SDS

RUO – Research Use Only