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| CAS No.: | 88-11-9 |
|---|---|
| Name: | Diethylthiocarbamoyl chloride |
| Article Data: | 15 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H10ClNS |
| Molecular Weight: | 151.66 |
| Synonyms: | Carbamothioicchloride, diethyl- (9CI);Carbamoyl chloride, diethylthio- (6CI,7CI,8CI);Diethylcarbamothioyl chloride;Diethylthiocarbamoyl chloride;Diethylthiocarbamyl chloride;N,N-Diethylthiocarbamoyl chloride;NSC 379476; |
| EINECS: | 201-799-0 |
| Density: | 1.125 g/cm3 |
| Melting Point: | 45-50 °C(lit.) |
| Boiling Point: | 301.5 °C at 760 mmHg |
| Flash Point: | 136.1 °C |
| Appearance: | Yellow Crystalline Solid |
| Hazard Symbols: |
 C ;  Xi
|
| Risk Codes: | 34 |
| Safety: | 22-26-27-36/37/39-45 |
| PSA: | 35.33000 |
| LogP: | 1.85190 |
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Specification
The Diethylthiocarbamoyl chloride , its cas register number is 88-11-9. The IPUAC name about this chemicals is N,N-diethylcarbamothioyl chloride .Following are the physical and chemical properties about it: (1)#H bond acceptors: 1 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 2 ; (4)Index of Refraction: 1.521 ; (5)Molar Refractivity: 41.07 cm3 ; (6)Molar Volume: 134.6 cm3 ; (7)Surface Tension: 41.4 dyne/cm ; (8)Enthalpy of Vaporization: 54.16 kJ/mol ; (9)Vapour Pressure: 0.00105 mmHg at 25 °C . It belongs to the following product categories, such as Miscellaneous Reagents, Organic Building Blocks, Sulfur Compounds and Thiocarbonyl Compounds.
The Diethylthiocarbamoyl chloride is a yellow crystalline solid and can be used as a useful synthetic intermediate, If you want to use it, you should be more careful, because it can causes burns. In the use process, you need to wear suitable protective clothing, gloves and eye/face protection ,remeber not breathe dust, and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, also in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). Expect these measures, it also have some importent sfety imformations, RIDADR about it is UN 3261 8/PG 2, WGK Germany is 3, Hazard Note is Irritant, its HazardClass is 8, and its PackingGroup is III.
The reaction of Arylamines with Diethylthiocarbamoyl Chloride can get a new synthesis of Aryl Isothiocyanates
This chemicals can be described computed from structure:
1) Canonical SMILES: CCN(CC)C(=S)Cl
2) InChI: InChI=1S/C5H10ClNS/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3
3) InChIKey: HUUSTUALCPTCGJ-UHFFFAOYSA-N