Dimethylthiocarbamoyl chloride
- CAS NO.：16420-13-6
- Empirical Formula: C3H6ClNS
- Molecular Weight: 123.6
- MDL number: MFCD00004919
- EINECS: 240-468-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-10-29 18:21:28
What is Dimethylthiocarbamoyl chloride?
Chemical properties
slightly yellow to yellow low melting crystalline
The Uses of Dimethylthiocarbamoyl chloride
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.
The Uses of Dimethylthiocarbamoyl chloride
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.]
Properties of Dimethylthiocarbamoyl chloride
| Melting point: | 39-43 °C (lit.) |
| Boiling point: | 90-95 °C/0.5 mmHg (lit.) |
| Density | 1.204 (estimate) |
| refractive index | 1.6100 (estimate) |
| Flash point: | 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 |
| 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 for Dimethylthiocarbamoyl chloride
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H290:Corrosive to Metals H302:Acute toxicity,oral H314:Skin corrosion/irritation H317:Sensitisation, Skin H318:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P234:Keep only in original container. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P310:Immediately call a POISON CENTER or doctor/physician. P390:Absorb spillage to prevent material damage. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. P406:Store in corrosive resistant/… container with a resistant inner liner. P501:Dispose of contents/container to..… |
Computed Descriptors for Dimethylthiocarbamoyl chloride
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