化工社化工社 化学情報印刷レポート · 研究参考用
p-エチルベンゼンスルホン酸
p-エチルベンゼンスルホン酸 · 4-エチルベンゼンスルホン酸 · 4-エチルベンゼン-1-スルホン酸 · p-ethylbenzenesulphonic acid · phenylethane-p-sulfonate · p-ethyl-benzenesulfonicaci · 4-ethyl-benzenesulfonicaci · 4-ETHYLBENZENESULFONIC ACID
識別子と物理属性
| CAS No. | 57352-34-8 |
|---|---|
| 分子式 | C8H10O3S |
| 平均分子量 | 186.23 g/mol |
| 単同位体質量 | 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 |
| 現地名 | p-エチルベンゼンスルホン酸 |
化学・物理的性質
| XLogP | 1.5 |
|---|---|
| 極性表面積 | 62.8 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 2 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 219 |
| Physical Description | Liquid |
| 密度 | 1.229 g/mL at 25 °C (lit.) |
| 屈折率 | n20/D 1.5331(lit.) |
| 引火点 | >230 °F |
| pKa（酸解離定数） | -0.45±0.50(Predicted) |
| 安定性 | 安定性可燃性。強酸化剤、強塩基とは相容れない。 |
| 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 |
| CAS データベース | 98-69-1(CAS DataBase Reference) |
| EPAの化学物質情報 | Benzenesulfonic acid, 4-ethyl- (98-69-1) |
化学的特性
Solid.
安全性と法規制
| GHS 分類 | 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. |
|---|---|
| 規制情報 | 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. |
| その他の安全情報 | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| 有害性の概要 | 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%) |
| 処分方法 | 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. |
| 有害作用 | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
用途
使用
4-Ethylbenzenesulfonic acid was used to dope high conducting polypyrrole thin films.
製法・合成法
調製方法
4-Ethylbenzenesulfonic acid is produced by sulfonating ethylbenzene with sulfuric acid. It is separated from the isomers via the aniline salt.