Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Diethylene glycol, bischloroformate
DECF · Dipeptidyl chloride · diglycolchlorformate · DEGbis(chloroformate) · diglycolchloroformate · oxydiethylenechloroformate · Diglycol bis(chloroformate) · Oxydiethylenbis(chlorformiat)
식별자 및 물리적 특성
| CAS No. | 106-75-2 |
|---|---|
| 분자식 | C6H8Cl2O5 |
| 평균 분자량 | 231.03 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 2 |
|---|---|
| 극성 표면적 | 61.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 8 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 154 |
| 물질 분류 | Other Classes -> Other Organic Compounds |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Color/Form | LIQUID |
| 용해도 | SOL IN ACETONE, ALCOHOL, ETHER, CHLOROFORM, BENZENE |
| 인화점 | 295 °F146 °C (OPEN CUP)99 °C |
| 끓는 점 | 127 °C AT 5 MM HG330.45°C (rough estimate) |
| 증기압 | 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/ |
| 밀도 | 1.5876 (rough estimate) |
| 굴절률 | 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 |
| EPA | Carbonochloridic acid, C,C'-(oxydi-2,1-ethanediyl) ester (106-75-2) |
안전 및 규제
| GHS 분류 | 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) |
|---|---|
| 규제 정보 | 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. |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| 유해성 요약 | 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 * |
| 소화 절차 | Water or foam may cause frothing. |
| Toxicity Data | LC50 (rat) = 169 ppm/1h |
| TSCA 등재 상태 | TSCA listed |
용도
용도
Oxydiethylene Bis(chloroformate) is a useful research intermediate for organic synthesis.