HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 577801Erstellt: 27. Oktober 2026
2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
4-(HexafL · JACS-722-92-9 · 2-(4-Amino-Phenyl · uoro-2-hydroxyisopropyL · 2-(4-Aminophenyl) hexafluoropropan-ol · 2-(4-AMINOPHENYL)HEXAFLUORO-2-PROPANOL · 4-(Hexafluoro-2-hydroxyisopropyl)aniline · 4-(Hexafluoro-2-hydroxyisopropyl)aniline97%
https://huagongshe.com/de/chemical/577801
Identifikatoren & physikalische Daten
| CAS No. | 722-92-9 |
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| Summenformel | C9H7F6NO |
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| Durchschnittliche Molmasse | 259,15 g/mol |
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| Monoisotopische Masse | 259,04318316 g/mol |
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| SMILES | Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 |
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| InChIKey | TZEJXCIGVMTMDY-UHFFFAOYSA-N |
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| PubChem CID | 577801 |
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| ChEMBL | CHEMBL1499171 |
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| EC No. | 670-530-0 |
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| DTXSID | DTXSID50992926 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
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| Polarare Oberfläche (TPSA) | 46,3 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 8 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 252 |
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| Schmelzpunkt | 147-152 °C |
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| Siedepunkt | 292.9±40.0 °C(Predicted) |
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| Dichte | 1.505±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
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| pKa (Säurekonstante) | 9.86±0.15(Predicted) |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | Light brown |
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| BRN | 1473737 |
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| InChI | InChI=1S/C9H7F6NO/c10-8(11,12)7(17,9(13,14)15)5-1-3-6(16)4-2-5/h1-4,17H,16H2 |
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| InChIKey | TZEJXCIGVMTMDY-UHFFFAOYSA-N |
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| SMILES | C(O)(C(F)(F)F)(C(F)(F)F)C1C=CC(N)=CC=1 |
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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, P317, 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 6 reports by companies from 3 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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| UN-Transportnummer | 2811 |
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| Zollcode | 29221990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant/Keep Cold under Argon |
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| Sicherheitshinweise (S) | 37/39-26 |
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| Gefahrenklasse | 6.1 |
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| Verpackungsgruppe | Ⅲ |
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