HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Bromo-4-hydroxybenzaldehyde
2-Bromo-4-formylphenol · AKOS B029029 · ASISCHEM N48923 · 3-BROMO-4-HYROXYBENZALDEHYDE · 4-Hydroxy-3-bromobenzaldehyde · 3-BROMO-4-HYDROXYBENZALDEHYDE · 3-bromo-4-hydroxy benzeldehyde · 3-Bromo-4-hydroxybenza I dehyde
Identifikatoren & physikalische Daten
| CAS No. | 2973-78-6 |
|---|---|
| Summenformel | C7H5BrO2 |
| Durchschnittliche Molmasse | 201,02 g/mol |
| Monoisotopische Masse | 199,9472915 g/mol |
| SMILES | O=Cc1ccc(O)c(Br)c1 |
| InChIKey | UOTMHAOCAJROQF-UHFFFAOYSA-N |
| PubChem CID | 76308 |
| EC No. | 608-409-1 |
| DTXSID | DTXSID30183890 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 127 |
| LogP (Verteilungskoeffizient) | 1.83 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 130-135 °C (lit.) |
| Siedepunkt | 261.3±20.0 °C(Predicted) |
| Dichte | 1.737±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Heated)Soluble in water 1.33 g/L. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 6.24±0.18(Predicted) |
| Farbe | White to Pale Yellow |
| BRN | 2205318 |
| InChI | InChI=1S/C7H5BrO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H |
| InChIKey | UOTMHAOCAJROQF-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=C(O)C(Br)=C1 |
| CAS Datenbank | 2973-78-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzaldehyde, 3-bromo-4-hydroxy-(2973-78-6) |
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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29130000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-Bromo-4-hydroxybenzaldehyde is an intermediate in organic syntheses, it is used to produce other chemicals like 5-Brom-4-hydroxy-b-nitrostyrol.