HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 16769729Erstellt: 27. Oktober 2026
1-(3-Bromophenyl)cyclopropane-1-carboxylic acid
1-(3-BROMOPHENYL)CYCLOPROPANE-1-CARBOXYLIC ACID · AKOS BBV-005261 · 1-(3-BROMOPHENYL)CYCLOPROPANEC · 1-(3-Bromophenyl)cyclopropanecarboxylic acid · Cyclopropanecarboxylic acid, 1-(3-bromophenyl)- · 1-(3-Bromophenyl)-1-carboxycyclopropane, 1-(1-Carboxycycloprop-1-yl)-3-bromobenzene
https://huagongshe.com/de/chemical/16769729
Identifikatoren & physikalische Daten
| CAS No. | 124276-95-5 |
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| Summenformel | C10H9BrO2 |
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| Durchschnittliche Molmasse | 241,08 g/mol |
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| Monoisotopische Masse | 239,97859163 g/mol |
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| SMILES | O=C(O)C1(c2cccc(Br)c2)CC1 |
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| InChIKey | MYDCJGVBYNDHIC-UHFFFAOYSA-N |
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| PubChem CID | 16769729 |
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| EC No. | 695-620-7 |
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| DTXSID | DTXSID10588127 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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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 | 2 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 223 |
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| Siedepunkt | 367.6±35.0 °C(Predicted) |
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| Dichte | 1.67 |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 4.23±0.20(Predicted) |
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| InChI | 1S/C10H9BrO2/c11-8-3-1-2-7(6-8)10(4-5-10)9(12)13/h1-3,6H,4-5H2,(H,12,13) |
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| InChIKey | MYDCJGVBYNDHIC-UHFFFAOYSA-N |
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| SMILES | Brc1cc(ccc1)C2(CC2)C(=O)O |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 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 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 2916200090 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral |
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