2-아크릴아미도-2-메틸프로판술폰산
2-아크릴아미노-2-메틸프로판설폰산 · 2-아크릴아미도-2-메틸프로판술폰산 · 아크릴아미드t-부틸술폰산(ATBS) · AMPS · TBAS · 2-ACRYLAMIDO-2-METHYL-1-PROPANESULFONIC ACID · 2-ACRYLAMIDO-2-METHYLPROPANESULFONIC ACID · 2-ACRYLAMIDO-2-METHYLPROPANESULPHONIC ACID
식별자 및 물리적 특성
| CAS No. | 15214-89-8 |
|---|---|
| 분자식 | C7H13NO4S |
| 평균 분자량 | 207.25 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 2-아크릴아미도-2-메틸프로판술폰산 |
화학 및 물리적 성질
| XLogP | -0.4 |
|---|---|
| 극성 표면적 | 91.9 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 299 |
| 녹는점 | 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] |
| 밀도 | 1.45 |
| 증기압 | <0.0000004 hPa (25 °C) |
| 굴절률 | 1.6370 (estimate) |
| 인화점 | 160 °C |
| 저장 조건 | Store below +30°C. |
| 용해도 | >500g/l 가용성 |
| pKa(산도 계수) | 1.67±0.50(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 하얀색 |
| 용해도 | 1500 g/L (20 ºC) |
| BRN | 1946464 |
| 안정성 | 감광성 |
| 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(분배 계수) | -3.7 at 20℃ and pH1-7 |
| 표면장력 | 70.5mN/m at 1g/L and 20℃ |
| EPA | 1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propenyl)amino]- (15214-89-8) |
화학적 성질
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.
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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%) |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | TZ6658000 |
| 운송 번호(UN) | UN 2585 8/PG 3 |
| 독성 | LD50 orally in Rabbit: 1000 - 2000 mg/kg |
| 관세 코드 | 29241900 |
| 위험 문구(R) | 34-21/22-41-37-20/22 |
| 위험 표시 | C,Xn |
| 안전 문구(S) | 26-36/37/39-45-22 |
| 포장분류 | III |
| 위험 등급 | 8Acute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1STOT SE 3 |
제조 및 합성 방법
제조 방법
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.