HuagongsheHuagongshe Chemistry Print Report · For research reference only
Chloral alcoholate
Chloralacetal · chloral-acetal · trichloroacetal · chloralalkoholat · Chloralhemiacetal · CHLORAL ALCOHOLATE · chloralethylalcoholate · chloral diethyl acetal
Identifiers & Physical Properties
| CAS No. | 515-83-3 |
|---|---|
| Molecular formula | C4H7Cl3O2 |
| Average molar mass | 193.45 g/mol |
| Monoisotopic mass | 191.9511625 g/mol |
| SMILES | CCOC(O)C(Cl)(Cl)Cl |
| InChIKey | DLHWKJDYXPNWAI-UHFFFAOYSA-N |
| PubChem CID | 10587 |
| EC No. | 208-211-1 |
| DTXSID | DTXSID90870577 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 29.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 80.4 |
| SpringerMaterials Properties | Fusion temperature |
| Melting point | 47 °C |
| Boiling point | 116 °C |
| Density | 1,143 g/cm3 |
| Flash point | 116°C |
| Physical state | Crystalline Powder, Crystals, Needles |
| pKa (acidity coefficient) | 10.84±0.20(Predicted) |
| Color | White to light yellow |
| Solubility | Slightly soluble in Water. |
| Sensitivity | Hygroscopic |
| Merck | 14,2069 |
| BRN | 1209355 |
| CAS DataBase Reference | 515-83-3 |
| FDA UNII | JU3I94Z61H |
| EPA Substance Registry System | Ethanol, 2,2,2-trichloro-1-ethoxy- (515-83-3) |
| GHS pictogram | GHS06 |
| GHS hazard statements | H301 |
| GHS precautionary statements | P264-P270-P301+P310a-P321-P405-P501a |
| Hazard symbols | Xn |
| Risk statements (R) | 22 |
| Safety statements (S) | 23-36/37 |
| RTECS number | KM4725000 |
| TSCA inventory status | TSCA listed |
| Customs code | 29110000 |
| Toxicity | LD50 orl-rat: 880 mg/kg JPETAB 78,340,43 |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| TSCA inventory status | TSCA listed |
| RTECS number | KM4725000 |
| Customs code | 29110000 |
| Toxicity | LD50 orl-rat: 880 mg/kg JPETAB 78,340,43 |
| Risk statements (R) | 22 |
| GHS pictogram | GHS06 |
| Hazard symbols | Xn |
| Safety statements (S) | 23-36/37 |
| GHS hazard statements | H301 |
| GHS precautionary statements | P264-P270-P301+P310a-P321-P405-P501a |
Applications & Uses
Uses
2,2,2-Trichloro-1-ethoxyethanol is used as a medicine, intermediates. It is used in the production of fluorine plastics.