HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 70323Erstellt: 27. Oktober 2026
2-Phenylcyclopropane-1-carboxylic acid
Nsc245855 · AKOS B022610 · AKOS MSC-0115 · TIMTEC-BB SBB003944 · 1-Carboxy-2-phenylcyclopropane · 2-Phenyl-cyclopropanecarboxylic acid · Cyclopropanecarboxylic acid, 2-phenyl- · 2-Phenyl-1-cyclopropanecarboxylic acid
https://huagongshe.com/de/chemical/70323
Identifikatoren & physikalische Daten
| CAS No. | 5685-38-1 |
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| Summenformel | C10H10O2 |
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| Durchschnittliche Molmasse | 162,18 g/mol |
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| Monoisotopische Masse | 162,06807956 g/mol |
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| SMILES | O=C(O)C1CC1c1ccccc1 |
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| InChIKey | AHDDRJBFJBDEPW-UHFFFAOYSA-N |
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| PubChem CID | 70323 |
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| EC No. | 675-510-5 |
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| DTXSID | DTXSID80901142 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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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 | 12 |
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| Formalladung | 0 |
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| Komplexität | 182 |
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| Schmelzpunkt | 89-90 °C(Solv: water (7732-18-5)) |
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| Siedepunkt | 317.1±31.0 °C(Predicted) |
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| Dichte | 1.250±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 4.57±0.10(Predicted) |
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| Farbe | White |
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| InChI | InChI=1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12) |
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| InChIKey | AHDDRJBFJBDEPW-UHFFFAOYSA-N |
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| SMILES | C1(C(O)=O)CC1C1=CC=CC=C1 |
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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 2 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 | Skin Irrit. 2 (100%) |
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| Zollcode | 2916399090 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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