Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-에틸벤젠설폰산
4-에틸벤젠설폰산 · p-ethylbenzenesulphonic acid · phenylethane-p-sulfonate · p-ethyl-benzenesulfonicaci · 4-ethyl-benzenesulfonicaci · 4-ETHYLBENZENESULFONIC ACID · P-ETHYLBENZENESULFONIC ACID · Benzenesulfonic acid, 4-ethyl-
식별자 및 물리적 특성
| CAS No. | 57352-34-8 |
|---|---|
| 분자식 | C8H10O3S |
| 평균 분자량 | 186.23 g/mol |
| 단동위원소 질량 | 186.03506535 g/mol |
| SMILES | CCc1ccc(S(=O)(=O)O)cc1 |
| InChIKey | BRIXOPDYGQCZFO-UHFFFAOYSA-N |
| PubChem CID | 7402 |
| ChEMBL | CHEMBL3188767 |
| ChEBI | CHEBI:176767 |
| EC No. | 202-693-7 |
| DTXSID | DTXSID4046571 |
| 현지명 | 4-에틸벤젠설폰산 |
화학 및 물리적 성질
| XLogP | 1.5 |
|---|---|
| 극성 표면적 | 62.8 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 219 |
| Physical Description | Liquid |
| 밀도 | 1.229 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.5331(lit.) |
| 인화점 | >230 °F |
| pKa(산도 계수) | -0.45±0.50(Predicted) |
| 안정성 | 타기 쉬운. 강한 산화제, 강한 염기와 호환되지 않습니다. |
| InChI | InChI=1S/C8H10O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H,9,10,11) |
| InChIKey | BRIXOPDYGQCZFO-UHFFFAOYSA-N |
| SMILES | C1(S(O)(=O)=O)=CC=C(CC)C=C1 |
| EPA | Benzenesulfonic acid, 4-ethyl- (98-69-1) |
화학적 성질
Solid.
안전 및 규제
| GHS 분류 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 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. |
|---|---|
| 규제 정보 | Chemical: Benzenesulfonic acid, 4-ethyl-Benzenesulfonic acid, ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Benzenesulfonic acid, ethyl-: 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 not considered for in depth evaluation - Not commercially active in Australia |
| 유해성 요약 | A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitis[MSDSonline] |
| Hazard Classes and Categories | Skin Corr. 1B (100%)Eye Dam. 1 (100%) |
| 처리 방법 | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| 유해 작용 | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 2586 8/PG 3 |
| 위험 문구(R) | 34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-27-28-36/37/39-45 |
| 포장분류 | III |
| 위험 등급 | 8Eye Dam. 1Skin Corr. 1B |
| 기존화학 물질 | KE-13536 |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
| 유해 물질 데이터 | 98-69-1(Hazardous Substances Data) |
용도
용도
4-Ethylbenzenesulfonic acid was used to dope high conducting polypyrrole thin films.
제조 및 합성 방법
생산 방법
4-Ethylbenzenesulfonic acid is produced by sulfonating ethylbenzene with sulfuric acid. It is separated from the isomers via the aniline salt.