HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 881739Erstellt: 26. Oktober 2026
5-Bromo-2-methoxybenzoic acid
AKOS B025214 · AKOS BB-8176 · AKOS BBB/391 · AURORA KA-1893 · ASISCHEM Y08619 · ART-CHEM-BB B025214 · RARECHEM AL BE 0053 · 5-BROMO-O-ANISIC ACID
https://huagongshe.com/de/chemical/881739
Identifikatoren & physikalische Daten
| CAS No. | 2476-35-9 |
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| Summenformel | C8H7BrO3 |
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| Durchschnittliche Molmasse | 231,04 g/mol |
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| Monoisotopische Masse | 229,95785618 g/mol |
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| SMILES | COc1ccc(Br)cc1C(=O)O |
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| InChIKey | JFDUXZIRWBYBAQ-UHFFFAOYSA-N |
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| PubChem CID | 881739 |
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| ChEMBL | CHEMBL2134682 |
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| EC No. | 626-883-8 |
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| DTXSID | DTXSID40358219 |
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Chemische & physikalische Eigenschaften
| XLogP | 3 |
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| Polarare Oberfläche (TPSA) | 46,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 172 |
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| Schmelzpunkt | 118-122 °C |
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| Siedepunkt | 334.7±27.0 °C(Predicted) |
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| Dichte | 1.625±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 3.70±0.10(Predicted) |
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| Farbe | White to Almost white |
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| InChI | 1S/C8H7BrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11) |
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| InChIKey | JFDUXZIRWBYBAQ-UHFFFAOYSA-N |
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| SMILES | COc1ccc(Br)cc1C(O)=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 3 (97.6%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 2811 6.1/PG 3 |
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| Zollcode | 2916399090 |
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| R-Sätze (R) | 25 |
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| Gefahrensymbole | Xi,T |
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| Sicherheitshinweise (S) | 45 |
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| Gefahrenklasse | IRRITANTAcute Tox. 3 Oral |
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| Verpackungsgruppe | Ⅲ |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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