HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 91867Erstellt: 27. Oktober 2026
2,4-Difluorbenzylalkohol
RARECHEM AL BD 0213 · 2,4-Difluorobenzyl a · 3,4-difluorobenzyl alcoho · 2,4-DIFLURO BENZYL ALCOHOL · 2,4-DIFLUOROBENZYL ALCOHOL · 2,4-Difluorobenzenemethanol · 2,4-DifluorobenzylAlcohol>2,4-Difluorobenzylalcohol98% · (2,4-DIFLUORO-PHENYL)-METHANOL
https://huagongshe.com/de/chemical/91867
Identifikatoren & physikalische Daten
| CAS No. | 56456-47-4 |
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| Summenformel | C7H6F2O |
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| Durchschnittliche Molmasse | 144,12 g/mol |
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| Monoisotopische Masse | 144,03867125 g/mol |
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| SMILES | OCc1ccc(F)cc1F |
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| InChIKey | NIJZBWHOHNWJBX-UHFFFAOYSA-N |
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| PubChem CID | 91867 |
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| EC No. | 260-191-3 |
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| DTXSID | DTXSID70205005 |
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| Lokaler Name | 2,4-Difluorbenzylalkohol |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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| Polarare Oberfläche (TPSA) | 20,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 108 |
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| Arzneimittel | Pharmaceuticals -> Metabolite of DolutegravirPharmaceuticals -> Listed in ZINC15 |
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| Siedepunkt | 52 °C |
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| Dichte | 1.29 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.487(lit.) |
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| Flammpunkt | 194 °F |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | clear liquid |
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| pKa (Säurekonstante) | 13.82±0.10(Predicted) |
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| Wichte | 1.290 |
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| Farbe | Colorless to Light orange to Yellow |
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| BRN | 2501944 |
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| InChI | InChI=1S/C7H6F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2 |
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| InChIKey | NIJZBWHOHNWJBX-UHFFFAOYSA-N |
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| SMILES | C1(CO)=CC=C(F)C=C1F |
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| CAS Datenbank | 56456-47-4(CAS DataBase Reference) |
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| NIST chemische Informationen | 2,4-Difluorobenzyl alcohol(56456-47-4) |
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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 46 reports by companies from 5 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) | 3 |
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| Zollcode | 29062990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Gefahrenklasse | IRRITANT |
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| Verpackungsgruppe | III |
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