HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Formyl-3-hydroxybenzoic acid
4-CARBOXYSALICYALDEHYDE · 4-FORMYL-3-HYDROXYBENZOIC ACID · 3-Hydroxy-4-formylbenzoic acid · Benzoic acid, 4-forMyl-3-hydroxy- · 4-Formyl-3-hydroxybenzoic acid 97% · 3-hydroxy-4-methanoyl-benzoic acid
Identifikatoren & physikalische Daten
| CAS No. | 619-12-5 |
|---|---|
| Summenformel | C8H6O4 |
| Durchschnittliche Molmasse | 166,13 g/mol |
| Monoisotopische Masse | 166,02660867 g/mol |
| SMILES | O=Cc1ccc(C(=O)O)cc1O |
| InChIKey | FDDHFCWYCKQKGY-UHFFFAOYSA-N |
| PubChem CID | 317508 |
| EC No. | 627-346-0 |
| DTXSID | DTXSID90312083 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 189 |
| Schmelzpunkt | 235-240 °C (lit.) |
| Siedepunkt | 214.32°C (rough estimate) |
| Dichte | 1.2208 (rough estimate) |
| Brechungsindex | 1.4611 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 3.66±0.10(Predicted) |
| InChI | InChI=1S/C8H6O4/c9-4-6-2-1-5(8(11)12)3-7(6)10/h1-4,10H,(H,11,12) |
| InChIKey | FDDHFCWYCKQKGY-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(C=O)C(O)=C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, 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. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 2918999090 |
| R-Sätze (R) | 22-36/38-43 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1 |
Anwendungen & Verwendung
Verwenden
4-Formyl-3-hydroxybenzoic acid can be used as a reactant to prepare: A pH-sensitive fluorescent probe 4,4′-(hydrazine-1,2-diylidene bis(methanylylidene)) bis(3-hydroxybenzoic acid (HDBB) by one-step condensation reaction with hydrazine.2-Oxo-2H-1-benzopyran-3,7-dicarboxylic acid by condensation reaction with diethyl malonate. Schiff base ligands for the preparation of stable and functional Schiff base metal complexes.