Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
술포살리실 산
설포살리실산 · 술포살리실산 · 5-SULFOSALICYLIC ACID · 5-SULPHOSALICYLIC ACID · 5-Sulfosalicylic · SALICYLSULFONIC ACID · 2-Hydroxy-5-sulfo-benzoic acid · cp18121
식별자 및 물리적 특성
| CAS No. | 97-05-2 |
|---|---|
| 분자식 | C7H6O6S |
| 평균 분자량 | 218.19 g/mol |
| 단동위원소 질량 | 217.98850891 g/mol |
| SMILES | O=C(O)c1cc(S(=O)(=O)O)ccc1O |
| InChIKey | YCPXWRQRBFJBPZ-UHFFFAOYSA-N |
| PubChem CID | 7322 |
| ChEMBL | CHEMBL2107580 |
| ChEBI | CHEBI:68555 |
| EC No. | 202-555-6 |
| DTXSID | DTXSID7059145 |
| 현지명 | 술포살리실 산 |
화학 및 물리적 성질
| XLogP | 1.3 |
|---|---|
| 극성 표면적 | 120 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 316 |
| 물질 분류 | Other Classes -> Organic Acids |
| 녹는점 | 120 °C120°C |
| Physical Description | Dihydrate: White solid[Merck Index] White odorless powder[Mallinckrodt Baker MSDS] |
| 끓는 점 | 328.86°C (rough estimate) |
| 밀도 | 1.7563 (rough estimate) |
| 증기압 | 0.005Pa at 20℃ |
| 굴절률 | 1.5300 (estimate) |
| pKa(산도 계수) | -0.62±0.50(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 투명한 |
| 용해도 | 987g/L at 20℃ |
| InChI | InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13) |
| InChIKey | YCPXWRQRBFJBPZ-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(S(O)(=O)=O)=CC=C1O |
| LogP(분배 계수) | -2.13 at 20℃ |
| NIST | Benzoic acid, 2-hydroxy-5-sulfo-(97-05-2) |
| EPA | Benzoic acid, 2-hydroxy-5-sulfo- (97-05-2) |
화학적 성질
Colorless crystals, colored pink by traces of iron. Very soluble in water.
안전 및 규제
| GHS 분류 | WarningH315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 2167 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzoic acid, 2-hydroxy-5-sulfo-Status: Active Update: 13-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/22724Benzoic acid, 2-hydroxy-5-sulpho-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | A skin and mucous membrane irritant[Merck Index] An irritant[Mallinckrodt Baker MSDS] See Salicylic acid. |
| Hazard Classes and Categories | Skin Irrit. 2 (96.4%) |
| Protective Action Criteria (PAC) | 5.6 [mg/m3]61 [mg/m3]370 [mg/m3] |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 1760 |
| 포장분류 | III |
| 위험 등급 | 8 |
| 기존화학 물질 | KE-20887 |
용도
용도
Sulfosalicylic Acid is a benzoic acid derivative with acetylcholinesterase inhibitory properties.
제조 및 합성 방법
생산 방법
Sulfosalicylic acid is obtained by heating one part of salicylic acid with 5 parts of concentrated sulfuric acid. It can also be prepared from the sulfochloride.