Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 157296생성일: 2026년 10월 27일
메틸3-이소시아네이토술포닐티오펜-2-카르복실레이트
메틸3-이소시아네이토술포닐티오펜-2-카르복실레이트 · 2-methoxy carbonyl thiophen-3-sulfonyl isocyanate · methyl 3-isocyanatosulfonylthiophene-2-carboxylate · methyl 3-isocyanatosulfonyl-2-thiophene-carboxylate · 2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, methyl ester
https://huagongshe.com/ko/chemical/157296
식별자 및 물리적 특성
| CAS No. | 79277-18-2 |
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| 분자식 | C7H5NO5S2 |
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| 평균 분자량 | 247.3 g/mol |
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| 단동위원소 질량 | 246.96091461 g/mol |
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| SMILES | COC(=O)c1sccc1S(=O)(=O)N=C=O |
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| InChIKey | VJQINSVXSJNRLA-UHFFFAOYSA-N |
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| PubChem CID | 157296 |
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| EC No. | 410-550-7 |
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| DTXSID | DTXSID2073647 |
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| 현지명 | 메틸3-이소시아네이토술포닐티오펜-2-카르복실레이트 |
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화학 및 물리적 성질
| XLogP | 2.2 |
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| 극성 표면적 | 126 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 7 |
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| 회전 가능 결합 수 | 4 |
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| 무거운 원자 수 | 15 |
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| 형식 전하 | 0 |
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| 복잡도 | 392 |
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| Physical Description | CBILiquid |
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| EPA | 2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, methyl ester (79277-18-2) |
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안전 및 규제
| GHS 분류 | DangerH317: May cause an allergic skin reaction [Warning Sensitization, Skin]H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P319, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement) |
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| 규제 정보 | Hazard Traits - Respiratory ToxicityAuthoritative List - EC Annex VI Resp. Sens. - Cat. 1Report - if used as a fragrance or flavor ingredient2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, 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: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3267 |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%)Skin Sens. 1 (100%)Eye Irrit. 2 (100%)Acute Tox. 4 (100%)Resp. Sens. 1 (100%)STOT SE 3 (100%)STOT RE 2 (100%)Specific target organ toxicity (repeated exposure) - category 2Respiratory sensitisation - category 1Skin sensitisation - category 1STOT RE 2 * |
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| TSCA 등재 상태 | TSCA listed |
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| 위험 문구(R) | 2-14-42/43-48/22 |
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| 위험 표시 | E,Xn |
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| 안전 문구(S) | 22-30-35-36/37 |
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