HuagongsheHuagongshe Chemistry Print Report · For research reference only
Diethylene glycol, bischloroformate
DECF · Dipeptidyl chloride · diglycolchlorformate · DEGbis(chloroformate) · diglycolchloroformate · oxydiethylenechloroformate · Diglycol bis(chloroformate) · Oxydiethylenbis(chlorformiat)
Identifiers & Physical Properties
| CAS No. | 106-75-2 |
|---|---|
| Molecular formula | C6H8Cl2O5 |
| Average molar mass | 231.03 g/mol |
| Monoisotopic mass | 229.9748787 g/mol |
| SMILES | O=C(Cl)OCCOCCOC(=O)Cl |
| InChIKey | XFSAZBKSWGOXRH-UHFFFAOYSA-N |
| PubChem CID | 7828 |
| ChEMBL | CHEMBL3188675 |
| EC No. | 203-430-9 |
| DTXSID | DTXSID2026739 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 61.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 8 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 154 |
| Chemical classes | Other Classes -> Other Organic Compounds |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Color/Form | LIQUID |
| Solubility | SOL IN ACETONE, ALCOHOL, ETHER, CHLOROFORM, BENZENE |
| Flash point | 295 °F146 °C (OPEN CUP)99 °C |
| Boiling point | 127 °C AT 5 MM HG330.45°C (rough estimate) |
| Vapor pressure | 5 mm Hg @ 127 °C |
| Physical Description | Liquid[HSDB] Clear yellow viscous liquid[MSDSonline] |
| Other Experimental Properties | CombustibleFlash point = 295 °C (146 °C)Hydrolyze readily in the presence of water or moist air /Chloroformates/Chloroformates are reactive intermediates that combine acid chloride, and ester functions. They undergo many reactions of acid chlorides, however, the rates are usually slower. Reactions of chloroformates, like other acid chlorides, proceed faster with better yields when alkali hydroxides or tertiary amines are present to react with the HCl as it forms. /Chloroformates/ |
| Density | 1.5876 (rough estimate) |
| Refractive index | 1.5300 (estimate) |
| InChI | InChI=1S/C6H8Cl2O5/c7-5(9)12-3-1-11-2-4-13-6(8)10/h1-4H2 |
| InChIKey | XFSAZBKSWGOXRH-UHFFFAOYSA-N |
| SMILES | C(Cl)(=O)OCCOCCOC(Cl)=O |
| CAS DataBase Reference | 106-75-2(CAS DataBase Reference) |
| EWG's Food Scores | 1-2 |
| FDA UNII | 0O453X86MX |
| EPA Substance Registry System | Carbonochloridic acid, C,C'-(oxydi-2,1-ethanediyl) ester (106-75-2) |
| GHS pictogram | GHS05,GHS07,GHS09 |
| Signal word | Danger |
| GHS hazard statements | H302-H315-H318-H411 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310 |
| Hazard symbols | Xn,N,T |
| Risk statements (R) | 10-23-34-51/53-41-38-22-50/53-48/23/25-36/38-25-21 |
| Safety statements (S) | 16-26-27-45-61-23-60-36/37/39 |
| UN transport number | 2742 |
| TSCA inventory status | TSCA listed |
| Hazardous substances data | 106-75-2(Hazardous Substances Data) |
| Toxicity | LD50 orl-mus: 813 mg/kg 37ASAA 4,758,78 |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatory information | Chemical: Carbonochloridic acid, oxydi-2,1-ethanediyl esterREACH registered substance: Oxydiethylene bis(chloroformate) (EC: 203-430-9)Carbonochloridic acid, oxydi-2,1-ethanediyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Other safety information | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| Hazards summary | A skin irritantMay cause serious eye injury[eChemPortal: ESIS] An irritantMay cause serious eye injury (small exposure could cause blindness)[MSDSonline] |
| NFPA Hazard Classification | 0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.0 - Materials that in themselves are normally stable, even under fire conditions. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute toxicity - category 4Acute toxicity (Oral) - Category 4Acute Tox. 4 * |
| Fire fighting procedures | Water or foam may cause frothing. |
| Toxicity Data | LC50 (rat) = 169 ppm/1h |
Applications & Uses
Uses
Oxydiethylene Bis(chloroformate) is a useful research intermediate for organic synthesis.