HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 18464Erstellt: 27. Oktober 2026
3,5-Dibromsalicylsaeure
3,5-DIBROMO-2-HYDROXYBENZOIC ACID · RARECHEM AL BO 2002 · 3,5-Dibromosalicylic · LABOTEST-BB LT00455167 · 3,5-BroMosalicylic acid · 3,5-DIBROMOSALICYLIC ACID · Benzbromarone Impurity 15 · Salicylic acid, 3,5-dibromo-
https://huagongshe.com/de/chemical/18464
Identifikatoren & physikalische Daten
| CAS No. | 3147-55-5 |
|---|
| Summenformel | C7H4Br2O3 |
|---|
| Durchschnittliche Molmasse | 295,91 g/mol |
|---|
| Monoisotopische Masse | 293,85271819 g/mol |
|---|
| SMILES | O=C(O)c1cc(Br)cc(Br)c1O |
|---|
| InChIKey | BFBZHSOXKROMBG-UHFFFAOYSA-N |
|---|
| PubChem CID | 18464 |
|---|
| ChEMBL | CHEMBL447448 |
|---|
| EC No. | 221-570-9 |
|---|
| DTXSID | DTXSID3062869 |
|---|
| Lokaler Name | 3,5-Dibromsalicylsaeure |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|
| Polarare Oberfläche (TPSA) | 57,5 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 12 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 185 |
|---|
| Schmelzpunkt | 224-227 °C(lit.) |
|---|
| Siedepunkt | 341.3±42.0 °C(Predicted) |
|---|
| Dichte | 2.0591 (rough estimate) |
|---|
| Brechungsindex | 1.4947 (estimate) |
|---|
| Lagerbedingungen | Inert atmosphere,Room Temperature |
|---|
| Aggregatzustand | Crystalline Powder |
|---|
| pKa (Säurekonstante) | 1.96±0.14(Predicted) |
|---|
| Farbe | White to off-white |
|---|
| Löslichkeit | SLIGHTLY SOLUBLE |
|---|
| Merck | 14,3028 |
|---|
| BRN | 2210805 |
|---|
| InChI | InChI=1S/C7H4Br2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12) |
|---|
| InChIKey | BFBZHSOXKROMBG-UHFFFAOYSA-N |
|---|
| SMILES | C(O)(=O)C1=CC(Br)=CC(Br)=C1O |
|---|
| CAS Datenbank | 3147-55-5(CAS DataBase Reference) |
|---|
| NIST chemische Informationen | 3,5-Dibromo-2-hydroxybenzoic acid(3147-55-5) |
|---|
| EPA chemische Informationen | Benzoic acid, 3,5-dibromo-2-hydroxy- (3147-55-5) |
|---|
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 8 reports by companies from 5 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 |
|---|
| TSCA-Inventar-Status | TSCA listed |
|---|
| Zollcode | 29182990 |
|---|
| R-Sätze (R) | 36/37/38 |
|---|
| Gefahrensymbole | Xi |
|---|
| hazard_note | Irritant |
|---|
| Sicherheitshinweise (S) | 22-24/25-37/39-26 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
|---|
