HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,4-Dihydroxy-2-naphthoesure
DHNA · 1,4-dihydroxy-2-naphthoate · 4-Dihydroxy-2-naphthoic acid · 1,4-Hydroxy-2-naphthoic acid · 1,4-Dihydroxy-2-naphtoic acid · 1,4-Dohydroxy-2-naphthoic acid · 1,4-DIHYDROXY-2-NAPHTHOIC ACID · 1,4 -DIHYDOXY-2-NAPHTHOIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 31519-22-9 |
|---|---|
| Summenformel | C11H8O4 |
| Durchschnittliche Molmasse | 204,18 g/mol |
| Monoisotopische Masse | 204,04225874 g/mol |
| SMILES | O=C(O)c1cc(O)c2ccccc2c1O |
| InChIKey | VOJUXHHACRXLTD-UHFFFAOYSA-N |
| PubChem CID | 671 |
| ChEMBL | CHEMBL1232286 |
| ChEBI | CHEBI:18094 |
| EC No. | 250-674-7 |
| DTXSID | DTXSID0037730 |
| Lokaler Name | 1,4-Dihydroxy-2-naphthoesure |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 77,8 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 253 |
| Schmelzpunkt | 220 °C (dec.) (lit.) |
| Siedepunkt | 461.7±40.0 °C(Predicted) |
| Dichte | 1.535±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 2.89±0.30(Predicted) |
| Farbe | White to Amber to Dark green |
| Löslichkeit | Slightly soluble in water. |
| InChI | InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15) |
| InChIKey | VOJUXHHACRXLTD-UHFFFAOYSA-N |
| SMILES | C1(O)=C2C(C=CC=C2)=C(O)C=C1C(O)=O |
| CAS Datenbank | 31519-22-9(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Naphthalenecarboxylic acid, 1,4-dihydroxy- (31519-22-9) |
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)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29182900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1,4-Dihydroxy-2-naphthoic acid from Propionibacterium freudenreichii is known to promote the proliferation of Bifidobacterium. It has potential therapeutic application for psoriasis treatment.