식별자 및 물리적 특성
| CAS No. | 137938-95-5 |
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| 분자식 | C8H5F3O2 |
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| 평균 분자량 | 190.12 g/mol |
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| 단동위원소 질량 | 190.02416406 g/mol |
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| SMILES | O=C(O)c1ccccc1C(F)(F)F |
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| InChIKey | FBRJYBGLCHWYOE-UHFFFAOYSA-N |
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| PubChem CID | 9899 |
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| ChEBI | CHEBI:60694 |
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| EC No. | 207-093-9 |
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| DTXSID | DTXSID90870537 |
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| 현지명 | (트리플루오로메틸)벤조산 |
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화학 및 물리적 성질
| XLogP | 1.3 |
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| 극성 표면적 | 37.3 |
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| 수소 결합 공여자 수 | 1 |
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| 수소 결합 수용자 수 | 5 |
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| 회전 가능 결합 수 | 1 |
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| 무거운 원자 수 | 13 |
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| 형식 전하 | 0 |
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| 복잡도 | 200 |
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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)Aggregated GHS information provided per 77 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 규제 정보 | Chemical: Benzoic acid, 2-(trifluoromethyl)-Council Directive (EEC) No 414/1991 (Repealed by Reg. EC No 1107/2009 (amended))PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.2-Trifluoromethylbenzoic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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