HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3926683Erstellt: 27. Oktober 2026
5-Formyl-2-methoxybenzoic acid
5-Formyl-2-methoxybenzoic Acid · 2-Methoxy-5-formylbenzoic acid · Benzoic acid, 5-formyl-2-methoxy- · 5-methanoyl-2-methoxy-benzoic acid · _x005f\r5-Formyl-2-methoxybenzoic Acid · 5-formyl-2-methoxybenzoic acid(SALTDATA: FREE)
https://huagongshe.com/de/chemical/3926683
Identifikatoren & physikalische Daten
| CAS No. | 84923-70-6 |
|---|
| Summenformel | C9H8O4 |
|---|
| Durchschnittliche Molmasse | 180,16 g/mol |
|---|
| Monoisotopische Masse | 180,04225874 g/mol |
|---|
| SMILES | COc1ccc(C=O)cc1C(=O)O |
|---|
| InChIKey | TTZPGMWNBQKNKX-UHFFFAOYSA-N |
|---|
| PubChem CID | 3926683 |
|---|
| EC No. | 865-672-7 |
|---|
| DTXSID | DTXSID10398006 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|
| Polarare Oberfläche (TPSA) | 63,6 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 3 |
|---|
| Schwere Atome | 13 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 202 |
|---|
| Siedepunkt | 371.1±27.0 °C(Predicted) |
|---|
| Dichte | 1.309±0.06 g/cm3 (20 ºC 760 Torr) |
|---|
| Lagerbedingungen | Inert atmosphere,Room Temperature |
|---|
| pKa (Säurekonstante) | 3.74±0.10(Predicted) |
|---|
| InChI | InChI=1S/C9H8O4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-5H,1H3,(H,11,12) |
|---|
| InChIKey | TTZPGMWNBQKNKX-UHFFFAOYSA-N |
|---|
| SMILES | C(O)(=O)C1=CC(C=O)=CC=C1OC |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 | Acute Tox. 4 (100%) |
|---|
| Zollcode | 2918999090 |
|---|
