HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 9899Erstellt: 26. Oktober 2026
(Trifluormethyl)benzoesure
(trifluoromethyl)benzoic acid
https://huagongshe.com/de/chemical/9899
Identifikatoren & physikalische Daten
| CAS No. | 137938-95-5 |
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| Summenformel | C8H5F3O2 |
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| Durchschnittliche Molmasse | 190,12 g/mol |
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| Monoisotopische Masse | 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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| Lokaler Name | (Trifluormethyl)benzoesure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 200 |
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| CAS Datenbank | 71990-01-7(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | 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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| Regulatorische Informationen | 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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