HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(p-Tolyl)cyclopropanecarboxylic acid
1-(p-Tolyl)cyclopropane-1-carboxylic acid · 1-(4-Methylphenyl)cyclopropanecarboxylic acid · 1-(4-Methylphenyl)-1-cyclopropanecarboxylic acid · Cyclopropanecarboxylic acid, 1-(4-methylphenyl)- · 1-(4-methylphenyl)cyclopropane-1-carboxylic acid · 1-(4-METHYLPHENYL)-1-CYCLOPROPANECARBOXYLIC ACID, 98 · 1-(4-Methylphenyl)-1-cyclopropanecarboxylic acid, 98% 10GR
Identifikatoren & physikalische Daten
| CAS No. | 83846-66-6 |
|---|---|
| Summenformel | C11H12O2 |
| Durchschnittliche Molmasse | 176,21 g/mol |
| Monoisotopische Masse | 176,08372962 g/mol |
| SMILES | Cc1ccc(C2(C(=O)O)CC2)cc1 |
| InChIKey | AYUGAOYMYXSOKU-UHFFFAOYSA-N |
| PubChem CID | 98639 |
| EC No. | 281-043-4 |
| DTXSID | DTXSID40232742 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 210 |
| Schmelzpunkt | 109 °C |
| Siedepunkt | 267.83°C (rough estimate) |
| Dichte | 1.0558 (rough estimate) |
| Brechungsindex | 1.5100 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Sonicated) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.39±0.20(Predicted) |
| Farbe | White to Off-White |
| InChI | InChI=1S/C11H12O2/c1-8-2-4-9(5-3-8)11(6-7-11)10(12)13/h2-5H,6-7H2,1H3,(H,12,13) |
| InChIKey | AYUGAOYMYXSOKU-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=C(C)C=C2)(C(O)=O)CC1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Eye Irrit. 2 (100%) |
| Zollcode | 29163900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
1-(4-Methylphenyl)-1-cyclopropanecarboxylic Acid can be used formyl peptide 2 receptor and formyl peptide 1 receptor agonists