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HCID 86672071Erstellt: 27. Oktober 2026
2-(4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl)acetic acid
1H-1,2,3-Triazole-1-acetic acid, 4-(trifluoromethyl)- · 2-(4-(TRIFLUOROMETHYL)-1H-1,2,3-TRIAZOL-1-YL)ACETIC ACID · 2-[4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl]acetic acid - [T82746]
https://huagongshe.com/de/chemical/86672071
Identifikatoren & physikalische Daten
| CAS No. | 1402411-43-1 |
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| Summenformel | C5H4F3N3O2 |
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| Durchschnittliche Molmasse | 195,1 g/mol |
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| SMILES | O=C(O)Cn1cc(C(F)(F)F)nn1 |
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| InChIKey | LHKKVYVRJWNYNV-UHFFFAOYSA-N |
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| PubChem CID | 86672071 |
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| EC No. | 845-621-5 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
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| Polarare Oberfläche (TPSA) | 68 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 7 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 208 |
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| Siedepunkt | 322.4±52.0 °C(Predicted) |
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| Dichte | 1.72±0.1 g/cm3(Predicted) |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 3.13±0.10(Predicted) |
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| InChI | 1S/C5H4F3N3O2/c6-5(7,8)3-1-11(10-9-3)2-4(12)13/h1H,2H2,(H,12,13) |
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| InChIKey | LHKKVYVRJWNYNV-UHFFFAOYSA-N |
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| SMILES | FC(F)(C1=CN(CC(O)=O)N=N1)F |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2 |
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