HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 266830Erstellt: 3. November 2026
2-(4-Methoxyphenyl)benzoic acid
AKOS BAR-0251 · TIMTEC-BB SBB007491 · 2-(4-methoxyphenyl)benzoic acid · 4'-Methoxy-2-biphenylcarboxylic acid · 4'-Methoxy-biphenyl-2-carboxylic acid · 2-BIPHENYL-(4'-METHOXY)CARBOXYLIC ACID · 4'-Methoxy-[1,1'-biphenyl]-2-carboxylic · 4'-METHOXY[1,1'-BIPHENYL]-2-CARBOXYLIC ACID
https://huagongshe.com/de/chemical/266830
Identifikatoren & physikalische Daten
| CAS No. | 18110-71-9 |
|---|
| Summenformel | C14H12O3 |
|---|
| Durchschnittliche Molmasse | 228,24 g/mol |
|---|
| Monoisotopische Masse | 228,07864424 g/mol |
|---|
| SMILES | COc1ccc(-c2ccccc2C(=O)O)cc1 |
|---|
| InChIKey | IPLPMLYQQDEHHD-UHFFFAOYSA-N |
|---|
| PubChem CID | 266830 |
|---|
| ChEMBL | CHEMBL4100471 |
|---|
| EC No. | 672-462-7 |
|---|
| DTXSID | DTXSID40295817 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|
| Polarare Oberfläche (TPSA) | 46,5 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 3 |
|---|
| Schwere Atome | 17 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 256 |
|---|
| Schmelzpunkt | 141-143 °C |
|---|
| Siedepunkt | 379.3±25.0 °C(Predicted) |
|---|
| Dichte | 1.193±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | Store at Room Tem. |
|---|
| pKa (Säurekonstante) | 3.87±0.36(Predicted) |
|---|
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
| Zollcode | 2918290090 |
|---|
| Gefahrensymbole | Xi |
|---|
| Gefahrenklasse | IRRITANT |
|---|
