Introduction：Basic information about Dimethylthiocarbamoyl chloride CAS 16420-13-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Dimethylthiocarbamoyl chloride Basic information
| Product Name: | Dimethylthiocarbamoyl chloride |
| Synonyms: | N,N-Dimethylcarbamothioic chloride, tech;DiMethylthiocarbaMoyl Chloride (DMTCC);DiMethylthiocarbaMoyl chloride, 99% 100GR;N,N-Dimethylaminothioformyl;DiMethylthiocarbaMoy;CarbaMothioic chloride,N,N-diMethyl-;DiMethylthiocarbaMoyl chloride 97%;DiMethyl aMinothioxoMethyl chloride |
| CAS: | 16420-13-6 |
| MF: | C3H6ClNS |
| MW: | 123.6 |
| EINECS: | 240-468-5 |
| Product Categories: | Sulfur Compounds (for Synthesis);Synthetic Organic Chemistry;Organic Building Blocks;Sulfur Compounds;Thiocarbonyl Compounds;Thiocarbonyl Compounds |
| Mol File: | 16420-13-6.mol |
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Dimethylthiocarbamoyl chloride Chemical Properties
| Melting point | 39-43 °C (lit.) |
| Boiling point | 90-95 °C/0.5 mmHg (lit.) |
| density | 1.204 (estimate) |
| refractive index | 1.6100 (estimate) |
| Fp | 209 °F |
| storage temp. | 2-8°C |
| solubility | Soluble in chloroform and tetrahydrofuran. |
| pka | 0.30±0.50(Predicted) |
| form | Low Melting Crystalline Solid or Crystals |
| color | Slightly yellow to yellow |
| Water Solubility | reacts |
| Sensitive | Moisture Sensitive |
| BRN | 635823 |
| InChI | 1S/C3H6ClNS/c1-5(2)3(4)6/h1-2H3 |
| InChIKey | PHWISQNXPLXQRU-UHFFFAOYSA-N |
| SMILES | CN(C)C(Cl)=S |
| CAS DataBase Reference | 16420-13-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Carbamothioic chloride, dimethyl-(16420-13-6) |
| EPA Substance Registry System | Carbamothioic chloride, dimethyl- (16420-13-6) |
Safety Information
| Hazard Codes | C |
| Risk Statements | 22-34-29-14 |
| Safety Statements | 26-36/37/39-45-8-30-22-27 |
| RIDADR | UN 3261 8/PG 2 |
| WGK Germany | 2 |
| F | 10-19-21 |
| Hazard Note | Corrosive |
| TSCA | TSCA listed |
| HazardClass | 8 |
| PackingGroup | III |
| HS Code | 29302000 |
| Storage Class | 11 - Combustible Solids |
Dimethylthiocarbamoyl chloride Usage And Synthesis
| Chemical Properties | slightly yellow to yellow low melting crystalline |
| Uses | Dimethylthiocarbamoyl chloride is used as an intermediate in the synthesis of pharmaceuticals. It finds application in chemoselective deoxygenation of pyridine-N-oxides. It is also used as a starting reagent in the synthesis of dimethylthiocarbamates. |
| Uses | 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. |
| Purification Methods | Crystallise it twice from pentane and/or distil it at low pressure. [Beilstein 4 III 147.] |
Dimethylthiocarbamoyl chloride Preparation Products And Raw materials
| Raw materials | Carbon tetrachloride-->Tetramethylthiuram Disulfide |
| Preparation Products | 2-Naphthalenethiol-->CYCLOPENTYL ISOTHIOCYANATE-->4,4-DIMETHYL-3-THIOSEMICARBAZIDE-->3-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE-->3-Methylphenyl isothiocyanate-->3-CHLOROPHENYL ISOTHIOCYANATE-->3-FLUOROPHENYL ISOTHIOCYANATE-->4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE-->3-CHLORO-4-FLUOROPHENYL ISOTHIOCYANATE-->Methyl 2-[(dimethylcarbamothioyl)-oxy]-4-methoxybenzoate-->3-DIMETHYLAMINO-1,2,4-DITHIAZOLE-5-THIONE-->1-Isopropyl-3-isothiocyanatobenzene-->Methyl 2-[(dimethylcarbamothioyl)-oxy]-4-methoxybenzoate |
