Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 5140913생성일: 2026년 11월 4일
Ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate
Valine Impurity 126 · 1-ETHYL-6 7 8-TRIFLUORO-4-OXOHYDROQUINO& · Ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-c · 1-ethyl-6,7,8-trifluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester · ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate · Ethyl 1-Ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate · 1-Ethyl-6,7,8-trifluoro-4-oxohydroquinone-3-carboxylic acid ethyl ester · ETHYL-6,7,8-TRIFLUORO-N-ETHYL-2,5-THIHYDRO-4-OXO-3-QUINOLINE CARBOXYLATE
https://huagongshe.com/ko/chemical/5140913
식별자 및 물리적 특성
| CAS No. | 100501-62-0 |
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| 분자식 | C14H12F3NO3 |
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| 평균 분자량 | 299.24 g/mol |
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| 단동위원소 질량 | 299.0769279 g/mol |
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| SMILES | CCOC(=O)c1cn(CC)c2c(F)c(F)c(F)cc2c1=O |
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| InChIKey | LWLLHOVWIFISMG-UHFFFAOYSA-N |
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| PubChem CID | 5140913 |
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| ChEMBL | CHEMBL5573317 |
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| EC No. | 405-880-3 |
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| DTXSID | DTXSID80408707 |
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화학 및 물리적 성질
| XLogP | 1.9 |
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| 극성 표면적 | 46.6 |
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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 | 21 |
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| 형식 전하 | 0 |
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| 복잡도 | 468 |
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| PFAS | PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds |
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| 녹는점 | 204-208 °C |
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| 끓는 점 | 392.3±42.0 °C(Predicted) |
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| 밀도 | 1.363±0.06 g/cm3(Predicted) |
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| pKa(산도 계수) | 0.18±0.70(Predicted) |
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| 물리적 상태 | powder to crystal |
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| 색상 | 흰색에서 거의 흰색 |
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| InChI | 1S/C14H12F3NO3/c1-3-18-6-8(14(20)21-4-2)13(19)7-5-9(15)10(16)11(17)12(7)18/h5-6H,3-4H2,1-2H3 |
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| InChIKey | LWLLHOVWIFISMG-UHFFFAOYSA-N |
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| SMILES | CCOC(=O)C1=CN(CC)c2c(F)c(F)c(F)cc2C1=O |
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안전 및 규제
| GHS 분류 | WarningH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
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| 규제 정보 | Status: Active Update: 26-05-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/6641 |
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| Hazard Classes and Categories | Skin Sens. 1B (100%)Skin Sens. 1 (100%)Skin sensitisation - category 1 |
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| 수질 위해 등급(WGK) | 2 |
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| 관세 코드 | 2933.99.8290 |
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| 위험 문구(R) | 43-52/53 |
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| 위험 표시 | Xi |
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| 안전 문구(S) | 24-37-61 |
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| 위험 등급 | Aquatic Chronic 3Skin Sens. 1 |
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| 저장 분류 | 11 - Combustible Solids |
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