p-Toluenesulfonylmethyl isocyanide , 98% , 36635-61-7

Synonym(s):
(p-Tolylsulfonyl)methyl isocyanide;TosMIC;Tosylmethyl isocyanide

CAS NO.：36635-61-7

Empirical Formula: C9H9NO2S

Molecular Weight: 195.24

MDL number: MFCD00000005

EINECS: 253-140-1

PRODUCT Properties

• Melting point: 109-113 °C(lit.)
• Density: 1.2721 (rough estimate)
• refractive index: 1.5270 (estimate)
• storage temp.: 2-8°C
• solubility: water: slightly soluble
• form: Liquid
• color: Clear
• Water Solubility: insoluble
• Sensitive: Moisture Sensitive
• Merck: 14,9556
• BRN: 3592382
• Exposure limits: NIOSH: IDLH 25 mg/m3
• InChI: InChI=1S/C9H9NO2S/c1-8-3-5-9(6-4-8)13(11,12)7-10-2/h3-6H,7H2,1H3
• InChIKey: BBNNLJMGPASZPD-UHFFFAOYSA-N
• SMILES: S(C1C=CC(C)=CC=1)(=O)(=O)C[N+]#[C-]
• CAS DataBase Reference: 36635-61-7(CAS DataBase Reference)

Description and Uses

Tosylmethyl isocyanide is a versatile synthon in organic chemistry, widely used as a reagent for the preparation of biologically active pyrroles and imidazoles. Tosylmethyl isocyanide undergoes a base-promoted 1,3-dipolar cycloaddition reaction with immobilised imines under microwave irradiation to give 1,5-disubstituted imidazoles.

Tosylmethyl Isocyanide is used as a synthetic reagent in the preparation of variety or biologically active heterocycles such as pyrroles and imidazoles. Tosylmethyl Isocyanide is reported to inhibit [ Fe]-hydrogenase with very high affinity.

Safety

• Symbol(GHS): GHS06
• Signal word: Danger
• Hazard statements: H300+H310+H330
• Precautionary statements: P262-P280-P301+P310+P330-P302+P352+P310-P304+P340+P310
• Hazard Codes: T,Xi
• Risk Statements: 23/24/25
• Safety Statements: 36/37-45-38-36/37/39-28A
• RIDADR: UN 2811 6.1/PG 3
• WGK Germany: 3
• F: 21
• Hazard Note: Irritant
• HazardClass: 6.1(b)
• PackingGroup: III
• HS Code: 29299000
• Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)