HuagongsheHuagongshe Chemistry Print Report · For research reference only
Diethylthiocarbamoyl chloride
NSC 379476 · dlethylthiocarbamyl chloride · Diethylcarbamothioic chloride · DIETHYLTHIOCARBAMOYL CHLORIDE · Diethyl thiocarbamyl chloride · Diethylcarbamothioyl chloride · DiethylthiocarbaMoyl chloride 95% · N,N-DIETHYLCARBAMOTHIOIC CHLORIDE
Identifiers & Physical Properties
| CAS No. | 88-11-9 |
|---|---|
| Molecular formula | C5H10ClNS |
| Average molar mass | 151.66 g/mol |
| Monoisotopic mass | 151.022248 g/mol |
| SMILES | CCN(CC)C(=S)Cl |
| InChIKey | HUUSTUALCPTCGJ-UHFFFAOYSA-N |
| PubChem CID | 66607 |
| EC No. | 201-799-0 |
| DTXSID | DTXSID0075364 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 35.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 80.5 |
| Melting point | 45-50 °C (lit.) |
| Boiling point | 113 °C/10 mmHg (lit.) |
| Density | 1.119 (estimate) |
| Refractive index | 1.6100 (estimate) |
| Flash point | >230 °F |
| Storage conditions | Refrigerator, Under Inert Atmosphere |
| Solubility | soluble in Dichloromethane, Ethyl Acetate |
| Physical state | solid |
| pKa (acidity coefficient) | 0.30±0.50(Predicted) |
| Stability | Hygroscopic, Water Sensitive |
| InChI | 1S/C5H10ClNS/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3 |
| InChIKey | HUUSTUALCPTCGJ-UHFFFAOYSA-N |
| SMILES | CCN(CC)C(Cl)=S |
| CAS DataBase Reference | 88-11-9(CAS DataBase Reference) |
| EPA Substance Registry System | Carbamothioic chloride, diethyl- (88-11-9) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314 |
| GHS precautionary statements | P280-P305+P351+P338-P310 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Hazard symbols | C,Xi |
| Risk statements (R) | 34 |
| Safety statements (S) | 22-26-27-36/37/39-45 |
| UN transport number | UN 3261 8/PG 2 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant |
| Hazard class | 8Skin Corr. 1B |
| Packing group | III |
| Customs code | 29302000 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Limited quantities | 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| GHS classification | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 3261 8/PG 2 |
| Customs code | 29302000 |
| Risk statements (R) | 34 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C,Xi |
| hazard_note | Irritant |
| Safety statements (S) | 22-26-27-36/37/39-45 |
| Hazard class | 8Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | III |
| GHS hazard statements | H314 |
| Limited quantities | 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
| GHS precautionary statements | P280-P305+P351+P338-P310 |
Applications & Uses
Uses
Diethylthiocarbamoyl chloride (N,N′-Diethylthiocarbamoyl chloride) may be used in the following syntheses:aryl isothiocyanates5-substituted 4-methyl-2-thiazolyl diethyldithiocarbamatesnovel type of vasorelaxant hybrid compounds
Uses
Diethylthiocarbamoyl chloride is a useful synthetic intermediate
General Description
Diethylthiocarbamoyl chloride is a thiocarbamoyl derivative. It has been reported to participate in the thionation of amides as thionating reagent.