HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 228080Erstellt: 27. Oktober 2026
2-Bromo-5-methylbenzoic acid
NSC20686 · Fluralaner-031 · 6-Bromo-m-toluic Acid · Fluralaner Impurity 52 · 2-Bromo-5-methylbenzoicaci · 2-BROMO-5-METHYLBENZOIC ACID · Benzoic acid,2-bromo-5-methyl- · 2-Bromo-5-methylbenzoicacid,98%
https://huagongshe.com/de/chemical/228080
Identifikatoren & physikalische Daten
| CAS No. | 6967-82-4 |
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| Summenformel | C8H7BrO2 |
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| Durchschnittliche Molmasse | 215,04 g/mol |
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| Monoisotopische Masse | 213,96294156 g/mol |
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| SMILES | Cc1ccc(Br)c(C(=O)O)c1 |
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| InChIKey | ZXMISUUIYPFORW-UHFFFAOYSA-N |
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| PubChem CID | 228080 |
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| EC No. | 629-977-7 |
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| DTXSID | DTXSID90281184 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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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 | 158 |
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| Schmelzpunkt | 136-140 °C |
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| Siedepunkt | 311.6±30.0 °C(Predicted) |
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| Dichte | 1.599±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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| pKa (Säurekonstante) | 2.92±0.10(Predicted) |
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| Aggregatzustand | Solid |
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| Farbe | White to Off-White |
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| InChI | InChI=1S/C8H7BrO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11) |
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| InChIKey | ZXMISUUIYPFORW-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)C1=CC(C)=CC=C1Br |
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| CAS Datenbank | 6967-82-4(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (83%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 6 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 (83%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 2811 6.1 / PGIII |
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| Zollcode | 29163990 |
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| R-Sätze (R) | 36/37/38-22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-36/37/39-37 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 Oral |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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