HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 66836Erstellt: 26. Oktober 2026
3-Brom-4-methoxybenzoesure
AKOS 211-11 · AKOS BBB/210 · Brc6h3(och3)cooh · TIMTEC-BB SBB009955 · RARECHEM AL BO 0751 · 3-BROMO-P-ANISIC ACID · 2-Bromo-4-carboxyanisole · 3-BROMO-P-ANISIC ACID, 98+%
https://huagongshe.com/de/chemical/66836
Identifikatoren & physikalische Daten
| CAS No. | 99-58-1 |
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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(C(=O)O)cc1Br |
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| InChIKey | BBPZABXVRBFWGD-UHFFFAOYSA-N |
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| PubChem CID | 66836 |
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| EC No. | 202-768-4 |
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| DTXSID | DTXSID00243930 |
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| Lokaler Name | 3-Brom-4-methoxybenzoesure |
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Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
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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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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Schmelzpunkt | 220-222 °C (lit.) |
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| Siedepunkt | 326.0±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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| Löslichkeit | Chloroform (Slightly), methanol (Slightly) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 4.08±0.10(Predicted) |
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| Farbe | White to Off-White |
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| BRN | 2087585 |
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| InChI | InChI=1S/C8H7BrO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11) |
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| InChIKey | BBPZABXVRBFWGD-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)C1=CC=C(OC)C(Br)=C1 |
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| CAS Datenbank | 99-58-1(CAS DataBase Reference) |
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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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29189900 |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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| Lagerklasse | 11 - Combustible Solids |
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