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HCID 97447Erstellt: 24. Oktober 2026
1-(4-Chlorphenyl)cyclopentancarbonsure
ASISCHEM D50961 · AKOS BBS-00006484 · TIMTEC-BB SBB000649 · LABOTEST-BB LT00453384 · 1-(4-CHLOROPHENYL)CYCLOPENTANECARBOXYLIC ACID · cyclopentanecarboxylic acid, 1-(4-chlorophenyl)- · 1-(4-Chlorophenyl)-1-cyclopentanecarboxylic acid · 1-(4-Chlorophenyl)-1-cyclopentanecarboxylic Acid >1-(4-Chlorophenyl)-1-cyclopentanecarboxylic acid,98%
https://huagongshe.com/de/chemical/97447
Identifikatoren & physikalische Daten
| CAS No. | 80789-69-1 |
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| Summenformel | C12H13ClO2 |
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| Durchschnittliche Molmasse | 224,68 g/mol |
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| Monoisotopische Masse | 224,0604073 g/mol |
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| SMILES | O=C(O)C1(c2ccc(Cl)cc2)CCCC1 |
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| InChIKey | QJNFJEMGWIQMJT-UHFFFAOYSA-N |
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| PubChem CID | 97447 |
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| EC No. | 279-552-1 |
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| DTXSID | DTXSID30230636 |
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| Lokaler Name | 1-(4-Chlorphenyl)cyclopentancarbonsure |
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Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
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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 | 15 |
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| Formalladung | 0 |
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| Komplexität | 238 |
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| Schmelzpunkt | 162-164 °C (lit.) |
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| Siedepunkt | 364.6±35.0 °C(Predicted) |
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| Dichte | 1.1690 (estimate) |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | soluble in Methanol |
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| pKa (Säurekonstante) | 4.26±0.20(Predicted) |
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| Aggregatzustand | Crystalline Powder or Crystals |
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| Farbe | Cream to gray |
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| InChI | InChI=1S/C12H13ClO2/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15) |
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| InChIKey | QJNFJEMGWIQMJT-UHFFFAOYSA-N |
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| SMILES | C1(C2=CC=C(Cl)C=C2)(C(O)=O)CCCC1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29163900 |
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| Sicherheitshinweise (S) | 24/25 |
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| Gefahrenklasse | IRRITANT |
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| Lagerklasse | 11 - Combustible Solids |
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