HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 84368Erstellt: 26. Oktober 2026
3-Brom-4-hydroxybenzoesure
3-BROMO-4-HYDROXYBENZOIC ACID · RARECHEM AL BO 0750 · Safinamide Impurity 42 · 3-Bromo-4-Hydroxybenzoic · Benzoic acid, 3-bromo-4-hydroxy- · 3-BroMo-4-hydroxybenzoic Acid 3-Bromo-4-hydroxybenzoic acid, 98%, · 3-BROMO-4-HYDROXYBENZOIC ACID HYDRATE · 3-Bromo-4-hydroxybenzoic acid - [B71982]
https://huagongshe.com/de/chemical/84368
Identifikatoren & physikalische Daten
| CAS No. | 14348-41-5 |
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| Summenformel | C7H5BrO3 |
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| Durchschnittliche Molmasse | 217,02 g/mol |
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| Monoisotopische Masse | 215,94220612 g/mol |
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| SMILES | O=C(O)c1ccc(O)c(Br)c1 |
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| InChIKey | XMEQDAIDOBVHEK-UHFFFAOYSA-N |
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| PubChem CID | 84368 |
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| ChEBI | CHEBI:140241 |
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| EC No. | 238-299-7 |
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| DTXSID | DTXSID90931899 |
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| Lokaler Name | 3-Brom-4-hydroxybenzoesure |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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| Polarare Oberfläche (TPSA) | 57,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 160 |
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| Pestizide | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Schmelzpunkt | 155-160 °C |
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| Siedepunkt | 338.9±32.0 °C(Predicted) |
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| Dichte | 1.861±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 4.18±0.10(Predicted) |
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| Farbe | White to Almost white |
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| InChI | 1S/C7H5BrO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11) |
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| InChIKey | XMEQDAIDOBVHEK-UHFFFAOYSA-N |
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| SMILES | OC(=O)c1ccc(O)c(Br)c1 |
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| CAS Datenbank | 14348-41-5(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2916399090 |
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| R-Sätze (R) | 22-41 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-39 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1 |
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