HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Brombrenzcatechin
4-broMobenzene-1,2-diol · RMA-436 · -Bromocatechol · 4-BROMOCATECHOL · 4-Bromocatechol>4-bromopyrocatechol · 4-Bromo-1,2-benzenediol · 1,2-Benzenediol, 4-broMo- · 4-BROMO-1,2-DIHYDROXYBENZENE
Identifikatoren & physikalische Daten
| CAS No. | 17345-77-6 |
|---|---|
| Summenformel | C6H5BrO2 |
| Durchschnittliche Molmasse | 189,01 g/mol |
| Monoisotopische Masse | 187,9472915 g/mol |
| SMILES | Oc1ccc(Br)cc1O |
| InChIKey | AQVKHRQMAUJBBP-UHFFFAOYSA-N |
| PubChem CID | 28487 |
| ChEBI | CHEBI:34388 |
| EC No. | 241-370-5 |
| DTXSID | DTXSID10169617 |
| Lokaler Name | 4-Brombrenzcatechin |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 97,1 |
| Schmelzpunkt | 87 °C |
| Siedepunkt | 280.5±20.0 °C(Predicted) |
| Dichte | 1.844±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | DMSO |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 8.84±0.10(Predicted) |
| Farbe | Brown |
| Stabilität | Light Sensitive |
| InChI | InChI=1S/C6H5BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H |
| InChIKey | AQVKHRQMAUJBBP-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(Br)C=C1O |
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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 29081990 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39-24/25 |
Anwendungen & Verwendung
Verwenden
A type of human dopamine sulfotransferase, belonging to the catechol family of molecules.