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HomeProduct name listDimethylthiocarbamoyl chloride

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: 2024-12-18 14:15:30
Dimethylthiocarbamoyl chloride Structural

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)
ghs
Corrosion
Corrosives
GHS05
ghs
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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