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HCID 67869Erstellt: 27. Oktober 2026
4-(Trifluormethyl)anthranilsure
2-aMino-4-(trifluoroMethoxy)benzoic acid · BUTTPARK 24\07-91 · Terbinafine Impurity 40 · 2-Amino-4-Trifluoromethylbenzo · 4-(trifluoromethyl)anthranilic acid · 2-aMino-4-trifluoroMethylbenaoic acid · 2-AMINO-4-(TRIFLUOROMETHYL)BENZOIC ACID · Benzoic acid,2-aMino-4-(trifluoroMethyl)-
https://huagongshe.com/de/chemical/67869
Identifikatoren & physikalische Daten
| CAS No. | 402-13-1 |
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| Summenformel | C8H6F3NO2 |
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| Durchschnittliche Molmasse | 205,13 g/mol |
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| Monoisotopische Masse | 205,03506309 g/mol |
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| SMILES | Nc1cc(C(F)(F)F)ccc1C(=O)O |
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| InChIKey | NQTLZJODEOHALT-UHFFFAOYSA-N |
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| PubChem CID | 67869 |
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| ChEMBL | CHEMBL1501276 |
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| EC No. | 206-937-3 |
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| DTXSID | DTXSID30193191 |
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| Lokaler Name | 4-(Trifluormethyl)anthranilsure |
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Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
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| Polarare Oberfläche (TPSA) | 63,3 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 229 |
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| Schmelzpunkt | 175-176°C |
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| Siedepunkt | 296.0±40.0 °C(Predicted) |
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| Dichte | 1.489±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystalline |
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| pKa (Säurekonstante) | 4.43±0.10(Predicted) |
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| Farbe | White to Amber |
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| InChI | InChI=1S/C8H6F3NO2/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3H,12H2,(H,13,14) |
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| InChIKey | NQTLZJODEOHALT-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)C1=CC=C(C(F)(F)F)C=C1N |
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| CAS Datenbank | 402-13-1(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 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 29215900 |
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| R-Sätze (R) | 36-36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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