474940

5-Chloro-2-methylphenyl isothiocyanate

98%

• Linear Formula: ClC₆H₃(CH₃)NCS
• CAS Number: 19241-36-2
• Molecular Weight: 183.66
• MDL number: MFCD00046801
• UNSPSC Code: 12352100
• PubChem Substance ID: 24871068

Properties

• assay: 98%
• refractive index: n20/D 1.646 (lit.)
• bp: 268-272 °C (lit.)
• density: 1.248 g/mL at 25 °C (lit.)
• SMILES string: Cc1ccc(Cl)cc1N=C=S
• InChI: 1S/C8H6ClNS/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3
• InChI key: VDBDGAPNWNWUSA-UHFFFAOYSA-N

Description

General description

5-Chloro-2-methylphenyl isothiocyanate is an isothiocyanate derivative. Its enthalpy of vaporization at boiling point (543.15K) has been reported to be 48.045kjoule/mol.[1]

Application

5-Chloro-2-methylphenyl isothiocyanate may be used in the synthesis of N-(5-chloro-2-methyphenyl)-N′-(1-methylethyl)-thiourea (HDL376).[2]

Safety Information

• pictograms: GHS05
• signalword: Danger
• hcodes: H314
• pcodes: P280 - P305 + P351 + P338 - P310
• Hazard Classifications: Skin Corr. 1B
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges