HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(S)-(-)-3-Cyclohexene-1-carboxylic Acid
(S)-cyclohex-3-ene-1-carboxylic acid · (S)-3-Cyclohexene-1-carboxylic Acid · (S)-Cyclohex-3-enecarboxylic acid · (1S)-cyclohex-3-ene-1-carboxylic acid · (S)-(-)-3-CYCLOHEXENEC · (S)-(-)-3-CYCLOHEXENECARBOXYLICA · (1S)-3-cyclohexenecarboxylic acid · (S)-(-)-3-cyclohexencarboxylic acid
Identifikatoren & physikalische Daten
| CAS No. | 5708-19-0 |
|---|---|
| Summenformel | C7H10O2 |
| Durchschnittliche Molmasse | 126,15 g/mol |
| SMILES | O=C(O)[C@@H]1CC=CCC1 |
| InChIKey | VUSWCWPCANWBFG-ZCFIWIBFSA-N |
| PubChem CID | 7128364 |
| EC No. | 634-675-3 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 138 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 19°C(lit.) |
| Siedepunkt | 118°C/6mmHg(lit.) |
| Dichte | 1.126±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.4780 to 1.4820 |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 4.67±0.20(Predicted) |
| Farbe | Colorless to Almost colorless |
| InChI | InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)/t6-/m1/s1 |
| InChIKey | VUSWCWPCANWBFG-ZCFIWIBFSA-N |
| SMILES | [C@H]1(C(O)=O)CCC=CC1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1C (100%) |
| UN-Transportnummer | UN 3265 8 / PGIII |
| Zollcode | 2916200090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
(S)-(-)-3-CYCLOHEXENECARBOXYLIC ACID can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.