| Identification | More | [Name]
Dimethylthiocarbamoyl chloride | [CAS]
16420-13-6 | [Synonyms]
DIMETHYLTHIOCARBAMOYL CHLORIDE
N,N-DIMETHYLCARBAMOTHIOIC CHLORIDE
N,N-DIMETHYLTHIOCARBAMOYL CHLORIDE
Carbamoyl chloride, dimethylthio-
Dimethylcarbamothioic chloride
dimethyl-carbamothioicchlorid
Dimethylthiocarbamyl chloride
N,N-Dimethylthiocarbamyl chloride
N,N-Dimethylaminothioformyl chloride
Dimethylthiocarmamoyl chloride
N,N-DIMETHYLCARBOMOYL CHLORIDE
Dimethylthiocarbamic acid chloride
N,N-Dimethylchloroformthioamide
N,N-Dimethylchlorothioformamide | [EINECS(EC#)]
240-468-5 | [Molecular Formula]
C3H6ClNS | [MDL Number]
MFCD00004919 | [Molecular Weight]
123.6 | [MOL File]
16420-13-6.mol |
| Chemical Properties | Back Directory | [Appearance]
slightly yellow to yellow low melting crystalline | [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. | [form ]
Low Melting Crystalline Solid or Crystals | [pka]
0.30±0.50(Predicted) | [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]
16420-13-6(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R22:Harmful if swallowed.
R34:Causes burns.
R29:Contact with water liberates toxic gas.
R14:Reacts violently with water. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S8:Keep container dry .
S30:Never add water to this product .
S22:Do not breathe dust .
S27:Take off immediately all contaminated clothing . | [RIDADR ]
UN 3261 8/PG 2
| [WGK Germany ]
2
| [F ]
10-19-21 | [Hazard Note ]
Corrosive | [TSCA ]
Yes | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29302000 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [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. | [Purification Methods]
Crystallise it twice from pentane and/or distil it at low pressure. [Beilstein 4 III 147.] |
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