HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3,3'-Dihydroxy-4,4'-methylendi-2-naphthoesure
EMBONIC ACID · Pamoic · PaMoic aci · Pamic acid · PAMOIC ACID · PalMer acid · Pamuric acid · PamoicAcid98%
Identifikatoren & physikalische Daten
| CAS No. | 130-85-8 |
|---|---|
| Summenformel | C23H16O6 |
| Durchschnittliche Molmasse | 388,4 g/mol |
| Monoisotopische Masse | 388,09468823 g/mol |
| SMILES | O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O |
| InChIKey | WLJNZVDCPSBLRP-UHFFFAOYSA-N |
| PubChem CID | 8546 |
| ChEMBL | CHEMBL177880 |
| ChEBI | CHEBI:50186 |
| EC No. | 204-998-0 |
| DTXSID | DTXSID9048984 |
| Lokaler Name | 3,3'-Dihydroxy-4,4'-methylendi-2-naphthoesure |
Chemische & physikalische Eigenschaften
| XLogP | 5,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 115 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 29 |
| Formalladung | 0 |
| Komplexität | 568 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | ≥300 °C (dec.) |
| Siedepunkt | 434.1°C (rough estimate) |
| Dichte | 1.2472 (rough estimate) |
| Brechungsindex | 1.4593 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in nitrobenzene, pyridinePRACTICALLY INSOLUBLE |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 2.67±0.30(Predicted) |
| Farbe | Yellow to yellow-green |
| Merck | 14,7005 |
| BRN | 901319 |
| InChI | 1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29) |
| InChIKey | WLJNZVDCPSBLRP-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(O)=O)c1O |
| CAS Datenbank | 130-85-8(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy- (130-85-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (15.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, 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)Aggregated GHS information provided per 72 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 09-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/236712-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 2-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (15.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29182990 |
| RTECS-Nr. | QL2180000 |
| R-Sätze (R) | 36/37/38-48-41-37/38-20/21/22 |
| Toxizität | eye-rbt 100 mg MOD FCTOD7 20,573,82 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-45-36/37/39-22 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Pamoic acid is used in preparation of repository derivatives of medicinal agents, used in pharmacology to increase the solubility of a drug in water.