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ビス(クロロぎ酸)オキシビス(エチレン)
ビス(クロロぎ酸)オキシビス(エチレン) · ビス(クロロぎ酸)オキシビスエチレン · ビス(クロロぎ酸)(オキシビスエチレン) · ビス[2-(クロロホルミルオキシ)エチル]エーテル · ビス(クロロぎ酸)3-オキサ-1,5-ペンタンジイル · クロロぎ酸ジグリコール · 2,2'-オキシビスエタノールビス(クロロホルマート) · ビス(クロリド炭酸)(オキシビスエチレン)
識別子と物理属性
| CAS No. | 106-75-2 |
|---|---|
| 分子式 | C6H8Cl2O5 |
| 平均分子量 | 231.03 g/mol |
| 単同位体質量 | 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 |
| 現地名 | ビス(クロロぎ酸)オキシビス(エチレン) |
化学・物理的性質
| XLogP | 2 |
|---|---|
| 極性表面積 | 61.8 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 8 |
| 重原子数 | 13 |
| 形式電荷 | 0 |
| 複雑度 | 154 |
| 物質分類 | Other Classes -> Other Organic Compounds |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Color/Form | LIQUID |
| 溶解度 | SOL IN ACETONE, ALCOHOL, ETHER, CHLOROFORM, BENZENE |
| 引火点 | 295 °F146 °C (OPEN CUP)99 °C |
| 沸点 | 127 °C AT 5 MM HG330.45°C (rough estimate) |
| 蒸気圧 | 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/ |
| 密度 | 1.5876 (rough estimate) |
| 屈折率 | 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 データベース | 106-75-2(CAS DataBase Reference) |
| EPAの化学物質情報 | Carbonochloridic acid, C,C'-(oxydi-2,1-ethanediyl) ester (106-75-2) |
安全性と法規制
| GHS 分類 | 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) |
|---|---|
| 規制情報 | 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. |
| その他の安全情報 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| 有害性の概要 | 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 * |
| 消火手順 | Water or foam may cause frothing. |
| Toxicity Data | LC50 (rat) = 169 ppm/1h |
| TSCA 収載状態 | TSCA listed |
用途
用途
変性剤の不揮発性可塑剤
使用
Oxydiethylene Bis(chloroformate) is a useful research intermediate for organic synthesis.