2-アクリルアミド-2-メチルプロパンスルホン酸
2-アクリルアミド-2-メチルプロパンスルホン酸 · 2-メチル-2-(アクリロイルアミノ)プロパン-1-スルホン酸 · N-(2-スルホ-1,1-ジメチルエチル)アクリルアミド · tert-ブチルアクリルアミドスルホン酸 · 2,2-ジメチル-2-(アクリロイルアミノ)-1-エタンスルホン酸 · 2-メチル-2-[(1-オキソ-2-プロペニル)アミノ]-1-プロパンスルホン酸 · 2-[(1-オキソ-2-プロペニル)アミノ]-2-メチルプロパン-1-スルホン酸 · 2-メチル-2-(1-オキソ-2-プロペニルアミノ)-1-プロパンスルホン酸
識別子と物理属性
| CAS No. | 15214-89-8 |
|---|---|
| 分子式 | C7H13NO4S |
| 平均分子量 | 207.25 g/mol |
| 単同位体質量 | 207.0565289 g/mol |
| SMILES | C=CC(=O)NC(C)(C)CS(=O)(=O)O |
| InChIKey | XHZPRMZZQOIPDS-UHFFFAOYSA-N |
| PubChem CID | 65360 |
| ChEMBL | CHEMBL1907040 |
| ChEBI | CHEBI:166476 |
| EC No. | 239-268-0 |
| DTXSID | DTXSID5027770 |
| 現地名 | 2-アクリルアミド-2-メチルプロパンスルホン酸 |
化学・物理的性質
| XLogP | -0.4 |
|---|---|
| 極性表面積 | 91.9 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 4 |
| 重原子数 | 13 |
| 形式電荷 | 0 |
| 複雑度 | 299 |
| 融点 | 185.5 - 186 °C195 °C (dec.) (lit.) |
| Physical Description | LiquidLarge CrystalsOther SolidDry Powder |
| Collision Cross Section | 141.5 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID5027770] |
| 密度 | 1.45 |
| 蒸気圧 | <0.0000004 hPa (25 °C) |
| 屈折率 | 1.6370 (estimate) |
| 引火点 | 160 °C |
| 貯蔵条件 | Store below +30°C. |
| 溶解度 | >500g/l 可溶1500g/L（20℃） |
| pKa（酸解離定数） | 1.67±0.50(Predicted) |
| 外観・状態 | 解決 |
| 色 | 白い |
| BRN | 1946464 |
| 安定性 | 光に敏感 |
| InChI | 1S/C7H13NO4S/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12) |
| InChIKey | HNKOEEKIRDEWRG-UHFFFAOYSA-N |
| SMILES | CC(C)(CS(O)(=O)=O)NC(=O)C=C |
| LogP（分配係数） | -3.7 at 20℃ and pH1-7 |
| 表面張力 | 70.5mN/m at 1g/L and 20℃ |
| CAS データベース | 15214-89-8(CAS DataBase Reference) |
| EPAの化学物質情報 | 1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propenyl)amino]- (15214-89-8) |
化学的特性
2-Acrylamide-2-methylpropanesulfonic acid is a white crystals. The melting point is 195°C (decomposition). Soluble in water, the solution is acidic. Soluble in dimethylformamide, partially soluble in methanol, ethanol, insoluble in acetone. Slightly sour.
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 1.7% (9 of 516) of reports.DangerH302+H332 (13%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oralacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 516 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: 1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propenyl)amino]-1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]- 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)Status: Active Update: 21-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15200 |
| Hazard Classes and Categories | Acute Tox. 4 (97.3%) |
| 水環境危害等級（WGK） | 1 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | TZ6658000 |
| 輸送番号（UN） | UN 2585 8/PG 3 |
| 毒性 | LD50 orally in Rabbit: 1000 - 2000 mg/kg |
| 税関コード | 29241900 |
| 危険文句（R） | 34-21/22-41-37-20/22 |
| 化審法 | (2)-2821 |
| 危険表示 | C,Xn |
| 安全措置（S） | 26-36/37/39-45-22 |
| 危険等級 | 8Acute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1STOT SE 3 |
用途
用途
アニオン性ポリマー、アクリル酸系共重合体原料。
用途
有機合成原料(合成樹脂)。
製法・合成法
製造方法
2-Acrylamido-2-methylpropanesulfonic acid(AMPS) can be synthesized by one step and two steps. The one-step method is to react the raw materials acrylonitrile, isobutylene and oleum together. The two-step method is to sulfonate isobutylene in the presence of a reaction solvent to obtain a sulfonated intermediate, and then react with acrylonitrile in the presence of sulfuric acid. One-step method is more economical. Raw material consumption quota: isobutylene 300kg/t, acrylonitrile 290kg/t, oleum 560kg/t.