Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,2-Ethanedisulfonic Acid
NSC-164 · Allergosil · Ethanedisulphonicacid · ethylene disulfonic acid · 1,2-ETHANEDISULFONIC ACID · 1,2-ethanedisulphonic acid · ETHANEDISULFONIC ACID(1,2-) · Ethylenedisulfonic acid
식별자 및 물리적 특성
| CAS No. | 110-04-3 |
|---|---|
| 분자식 | C2H6O6S2 |
| 평균 분자량 | 190.2 g/mol |
| 단동위원소 질량 | 189.96058025 g/mol |
| SMILES | O=S(=O)(O)CCS(=O)(=O)O |
| InChIKey | AFAXGSQYZLGZPG-UHFFFAOYSA-N |
| PubChem CID | 8032 |
| ChEMBL | CHEMBL4546972 |
| EC No. | 203-732-0 |
| DTXSID | DTXSID00149089 |
화학 및 물리적 성질
| XLogP | -2 |
|---|---|
| 극성 표면적 | 126 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 239 |
| 녹는점 | 109 °C |
| 밀도 | 1.545 (estimate) |
| 굴절률 | 1.5630 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | DMSO(소량으로 용해) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 0.71±0.50(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| 용해도 | 녹는 |
| Merck | 14,3724 |
| InChI | InChI=1S/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8) |
| InChIKey | AFAXGSQYZLGZPG-UHFFFAOYSA-N |
| SMILES | C(S(O)(=O)=O)CS(O)(=O)=O |
화학적 성질
Off-white to greysh-beige crystals and powder
안전 및 규제
| GHS 분류 | DangerH290 (22.2%): May be corrosive to metals [Warning Corrosive to Metals]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, P363, P390, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Met. Corr. 1 (22.2%)Skin Corr. 1C (100%)Eye Dam. 1 (33.3%)Eye Irrit. 2A (11.1%) |
| 운송 번호(UN) | 2585 |
| 관세 코드 | 29041000 |
| 위험 문구(R) | 34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45-27 |
| 포장분류 | II |
| 위험 등급 | 8 |
용도
용도
It is employed in the preparation of "edisylate" salts. It is also used in biological studies to evaluate cellular metabolism and allergy using guinea pigs as the subject of the studies.