Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate
CL220 · 3-aminosuL · Methyl 3-aminosulfon · 3-Sulfonyl amino thiophene · METHYL 3-SULFAMOYLTHIOPHENE-2-CARBOXYLA& · 2-METHOXYCARBONYL-THIOPHENE-3-SULFONAMIDE · 2-(METHOXYCARBONYL)-THIOPHENE-3-SULFON-AMID · ethyl 3-aminosulfonylthiophene-2-carboxylate
식별자 및 물리적 특성
| CAS No. | 59337-93-8 |
|---|---|
| 분자식 | C6H7NO4S2 |
| 평균 분자량 | 221.3 g/mol |
| 단동위원소 질량 | 220.9816497 g/mol |
| SMILES | COC(=O)c1sccc1S(N)(=O)=O |
| InChIKey | PMXNPOJHBQDJKS-UHFFFAOYSA-N |
| PubChem CID | 101012 |
| ChEMBL | CHEMBL3184199 |
| EC No. | 402-050-2 |
| DTXSID | DTXSID0044490 |
화학 및 물리적 성질
| XLogP | 0.4 |
|---|---|
| 극성 표면적 | 123 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 294 |
| 농약 | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| Physical Description | CBI |
| Collision Cross Section | 148.5 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID0044490] |
| 녹는점 | 123-124 °C(Solv: water (7732-18-5)) |
| 끓는 점 | 428.3±55.0 °C(Predicted) |
| 밀도 | 1.517±0.06 g/cm3(Predicted) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| pKa(산도 계수) | 9.55±0.60(Predicted) |
| EPA | 2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester (59337-93-8) |
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | 2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4438 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| TSCA 등재 상태 | TSCA listed |
| 위험 문구(R) | 36-43 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36/37 |
| 위험 등급 | IRRITANT |
용도
용도
Methyl 3-Aminosulfonyl-2-thiopene Carboxylate is an intermediate in the synthesis of Thifensulfuron-methyl (T344700), a sulfonylurea herbicide.