135895

Dimethylthiocarbamoyl chloride

97%

• Synonym(s): 1-Chloro-N,N-dimethylthioformamide
• Linear Formula: (CH₃)₂NCSCl
• CAS Number: 16420-13-6
• Molecular Weight: 123.60
• Beilstein: 635823
• EC Number: 240-468-5
• MDL number: MFCD00004919
• UNSPSC Code: 12352100
• PubChem Substance ID: 24848243
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• form: solid
• bp: 90-95 °C/0.5 mmHg (lit.)
• mp: 39-43 °C (lit.)
• solubility: chloroform: soluble 100 mg/mL, clear to very slightly hazy, very faintly yellow
• functional group: amine; chloro
• storage temp.: 2-8°C
• SMILES string: CN(C)C(Cl)=S
• InChI: 1S/C3H6ClNS/c1-5(2)3(4)6/h1-2H3
• InChI key: PHWISQNXPLXQRU-UHFFFAOYSA-N

Description

Application

Dimethylthiocarbamoyl chloride was used in chemoselective deoxygenation of pyridine-N-oxides. It was used in the synthesis of (±)-thia-calanolide A. It was used as starting reagent in the synthesis of dimethylthiocarbamates.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 2
• Flash Point(F): 208.4 °F - closed cup
• Flash Point(C): 98 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves