p-Toluenesulfonylmethyl isocyanide, 97%, Thermo Scientific Chemicals

Description

p-Toluenesulfonylmethyl isocyanide is a synthetic reagent used in the synthesis of triplet drugs with the 1,3,5-trioxazatriquinane skeleton, pyrroles, oxazoles and in imidazoles. It serves as an isonitrile component in a diastereoselective Passerini reaction. Furthermore, it is used in the Van Leusen reaction to convert aldehydes to nitriles.

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
p-Toluenesulfonylmethyl isocyanide is a synthetic reagent used in the synthesis of triplet drugs with the 1,3,5-trioxazatriquinane skeleton, pyrroles, oxazoles and in imidazoles. It serves as an isonitrile component in a diastereoselective Passerini reaction. Furthermore, it is used in the Van Leusen reaction to convert aldehydes to nitriles.

Solubility
Soluble in chloroform and methanol. Insoluble in water.

Notes
Moisture, air and light sensitive. Store in cool place. Incompatible with strong bases and strong oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 36635-61-7
• Molecular Formula: C9H9NO2S
• Molecular Weight (g/mol): 195.24
• MDL Number: MFCD00000005
• InChI Key: CFOAUYCPAUGDFF-UHFFFAOYSA-N
• Synonym: tosylmethyl isocyanide, tosmic, p-toluenesulfonylmethyl isocyanide, 4-toluenesulphonylmethyl isocyanide, 4-toluenesulfonylmethyl isocyanide, tosylmethylisocyanide, 1-isocyanomethylsulfonyl-4-methylbenzene, p-tolylsulfonyl methyl isocyanide, unii-c35fd6olh8, 1-isocyanomethyl sulfonyl-4-methylbenzene
• PubChem CID: 161915
• IUPAC Name: 1-(isocyanomethylsulfonyl)-4-methylbenzene
• SMILES: CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-]

• Melting Point: 109°C to 114°C
• Quantity: 100 g
• UN Number: UN2811
• Beilstein: 3592382
• Sensitivity: Moisture sensitive
• Solubility Information: Soluble in chloroform and methanol. Insoluble in water.
• Formula Weight: 195.24
• Percent Purity: ≥97%
• Chemical Name or Material: p-Toluenesulfonylmethyl isocyanide

Safety and Handling

Hazard Category	H301+H311+H331-H334
Hazard Statement	GHS H Statement H300-H311-H331 Fatal if swallowed. Toxic in contact with skin. Toxic if inhaled.
Precautionary Statement	P261-P264b-P270-P271-P280-P285-P301+P310-P302+P352-P304+P340-P311-P312-P330-P361-P363-P501c
DOTInformation	Transport Hazard Class: 6.1; Packing Group: II; Proper Shipping Name: TOXIC SOLIDS, ORGANIC, N.O.S.
EINECSNumber	253-140-1
TSCA	No
Recommended Storage	Ambient temperatures; Store under Nitrogen

SDS

RUO – Research Use Only