ChemicalBook--->CAS DataBase List--->16420-13-6

16420-13-6

16420-13-6 Structure

16420-13-6 Structure
IdentificationMore
[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 PropertiesBack 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
[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 DataBack 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
Raw materials And Preparation ProductsBack Directory
[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
Hazard InformationBack 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.]
Spectrum DetailBack Directory
[Spectrum Detail]

Dimethylthiocarbamoyl chloride(16420-13-6)MS
Dimethylthiocarbamoyl chloride(16420-13-6)1HNMR
Dimethylthiocarbamoyl chloride(16420-13-6)13CNMR
Dimethylthiocarbamoyl chloride(16420-13-6)IR1
Dimethylthiocarbamoyl chloride(16420-13-6)IR2
Dimethylthiocarbamoyl chloride(16420-13-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Dimethylthiocarbamoyl chloride, 99%(16420-13-6)
[Sigma Aldrich]

16420-13-6(sigmaaldrich)
[TCI AMERICA]

N,N-Dimethylthiocarbamoyl Chloride,>95.0%(GC)(16420-13-6)
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