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3,5-Dibromophenol
3,5-Dlbromophenol · 3,5-Dibromophenol · 3,5-Dibromophenol>Phenol, 3,5-dibroMo- · 3 5-DIBROMOPHENOL 97 · 3,5-Dibromophenol 98% · Phloroglucinol Impurity 15 · 3,5-Dibromophenol pure, 98% · 3,5-Dibromophenol@100 μg/mL in Toluene
Identifikatoren & physikalische Daten
| CAS No. | 626-41-5 |
|---|---|
| Summenformel | C6H4Br2O |
| Durchschnittliche Molmasse | 251,9 g/mol |
| Monoisotopische Masse | 249,86289 g/mol |
| SMILES | Oc1cc(Br)cc(Br)c1 |
| InChIKey | PZFMWYNHJFZBPO-UHFFFAOYSA-N |
| PubChem CID | 12280 |
| ChEMBL | CHEMBL450082 |
| EC No. | 629-188-8 |
| DTXSID | DTXSID70211646 |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 87 |
| Schmelzpunkt | 79-83 °C (lit.) |
| Siedepunkt | 122°C/3mmHg(lit.) |
| Dichte | 1.8854 (rough estimate) |
| Brechungsindex | 1.5380 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | pK1:8.056 (25°C) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow to Light orange |
| Löslichkeit | Sightly soluble in water. Soluble in methanol. |
| InChI | 1S/C6H4Br2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H |
| InChIKey | PZFMWYNHJFZBPO-UHFFFAOYSA-N |
| SMILES | Oc1cc(Br)cc(Br)c1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (97.7%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29081990 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant/Keep Cold |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | Ⅲ |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
3,5-Dibromophenol is used as a pharmaceutical intermediate. It is also used to prepare aromatic polyesters and drugs for arthritis.