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HCID 15728Erstellt: 27. Oktober 2026
3,4-Dichlorbenzylalkohol
RARECHEM AL BD 0536 · 3,4-Dichlorobenzyl a · Miconazole impurity 2 · LABOTEST-BB LT02003790 · Miconazole Impurity 17 · 3,4-DICHLORBENZYL ALCOHOL · 3,4-DICHLOROBENZYL ALCOHOL · 3,4-DICHLOROBENZENEALCOHOL
https://huagongshe.com/de/chemical/15728
Identifikatoren & physikalische Daten
| CAS No. | 1805-32-9 |
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| Summenformel | C7H6Cl2O |
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| Durchschnittliche Molmasse | 177,02 g/mol |
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| Monoisotopische Masse | 175,97957017 g/mol |
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| SMILES | OCc1ccc(Cl)c(Cl)c1 |
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| InChIKey | FVJIUQSKXOYFKG-UHFFFAOYSA-N |
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| PubChem CID | 15728 |
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| ChEMBL | CHEMBL2323843 |
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| EC No. | 217-299-0 |
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| DTXSID | DTXSID70170966 |
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| Lokaler Name | 3,4-Dichlorbenzylalkohol |
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Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
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| Polarare Oberfläche (TPSA) | 20,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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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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| Schmelzpunkt | 35-38 °C(lit.) |
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| Siedepunkt | 148-151 °C(lit.) |
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| Dichte | 1.2970 (rough estimate) |
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| Brechungsindex | 1.5570 (estimate) |
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| Flammpunkt | >110°C |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | 13.70±0.10(Predicted) |
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| Aggregatzustand | solid |
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| Farbe | White to Almost white |
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| BRN | 2082362 |
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| InChI | 1S/C7H6Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2 |
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| InChIKey | FVJIUQSKXOYFKG-UHFFFAOYSA-N |
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| SMILES | Clc1c(ccc(c1)CO)Cl |
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| CAS Datenbank | 1805-32-9(CAS DataBase Reference) |
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| NIST chemische Informationen | 3,4-Dichlorobenzyl alcohol(1805-32-9) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: Benzenemethanol, 3,4-dichloro- |
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| Hazard Classes and Categories | Acute Tox. 4 (95.7%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 2811 6.1/PG 3 |
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| Zollcode | 29062900 |
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| R-Sätze (R) | 23/24/25-21/22-51/53-41-37/38-22 |
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| Gefahrensymbole | T,Xi,Xn,N |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 27-28-36/37/39-45-36/37-61-26 |
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| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 11 - Combustible Solids |
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