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HCID 2777043Erstellt: 29. Oktober 2026
2,3,6-Trifluorobenzylamine
RARECHEM AL BW 0297 · 2,3,6-TRIFLUOROBENZYLAMINE · 2,3,6-Trifluorobenzylamine98% · (2,3,6-Trifluorophenyl)methylamine · Benzenemethanamine, 2,3,6-trifluoro- · 1-(2,3,6-trifluorophenyl)methanamine · Benzenemethanamine, 2,3,6-trifluoro- (9CI)
https://huagongshe.com/de/chemical/2777043
Identifikatoren & physikalische Daten
| CAS No. | 230295-09-7 |
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| Summenformel | C7H6F3N |
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| Durchschnittliche Molmasse | 161,12 g/mol |
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| Monoisotopische Masse | 161,04523368 g/mol |
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| SMILES | NCc1c(F)ccc(F)c1F |
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| InChIKey | ITWONDJIBWNPOK-UHFFFAOYSA-N |
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| PubChem CID | 2777043 |
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| EC No. | 671-905-1 |
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| DTXSID | DTXSID70380346 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
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| Polarare Oberfläche (TPSA) | 26 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 131 |
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| Schmelzpunkt | 280-281℃ |
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| Siedepunkt | 172℃ |
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| Dichte | 1.320 |
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| Flammpunkt | 67℃ |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | 7.95±0.10(Predicted) |
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| Aggregatzustand | liquid |
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| Farbe | Clear, almost colourless |
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| InChI | 1S/C7H6F3N/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H,3,11H2 |
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| InChIKey | ITWONDJIBWNPOK-UHFFFAOYSA-N |
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| SMILES | NCc1c(F)ccc(F)c1F |
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| CAS Datenbank | 230295-09-7(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Corr. 1B (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| UN-Transportnummer | UN2735 |
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| Zollcode | 2921490090 |
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| R-Sätze (R) | 36/37/38-41-38-25 |
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| Gefahrensymbole | Xi,T |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36-45-36/37/39 |
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| Gefahrenklasse | 8 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 11 - Combustible Solids |
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