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4,4'-dichlor-α-phenylbenzylalkohol
Bis(4-chlorophenyl)methanol · DBH · p,p'-DBH · Dichlorobenzhydrol · 4,4'-dichlorbenzhydrol · LABOTEST-BB LT00159701 · 4,4'-Dichlorobenzhydrol · 4,4''Dichlorobenzhyolrol
Identifikatoren & physikalische Daten
| CAS No. | 90-97-1 |
|---|---|
| Summenformel | C13H10Cl2O |
| Durchschnittliche Molmasse | 253,12 g/mol |
| Monoisotopische Masse | 252,0108703 g/mol |
| SMILES | OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |
| InChIKey | PHUYGURFBULKPA-UHFFFAOYSA-N |
| PubChem CID | 7033 |
| ChEBI | CHEBI:190399 |
| EC No. | 202-029-6 |
| DTXSID | DTXSID5075367 |
| Lokaler Name | 4,4'-dichlor-α-phenylbenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 184 |
| Schmelzpunkt | 91-95 °C |
| Siedepunkt | 386.1±32.0 °C(Predicted) |
| Dichte | 1.2806 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Insoluble in water. |
| pKa (Säurekonstante) | 13.14±0.20(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| BRN | 1878717 |
| CAS Datenbank | 90-97-1(CAS DataBase Reference) |
| NIST chemische Informationen | Methanol, bis-(p-chlorophenyl)-(90-97-1) |
| EPA chemische Informationen | p,p'-Dichlorobenzhydrol (90-97-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| Zollcode | 2906290090 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 37/39-26-36 |
Anwendungen & Verwendung
Verwenden
4,4'-Dichlorobenzhydrol is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.