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Naphthalin-1,4-dicarbonsure
NAPHTHALENE-1,4-DICARBOXYLIC ACID · 1,4-NAPHTHALIC ACID · DK7269 · DK7460 · 1,4-NaphthaL · 1,4-naphthalate · Adiphenine Impurity 10 · Naphthalin-1,4-dicarbonsure
Identifikatoren & physikalische Daten
| CAS No. | 605-70-9 |
|---|---|
| Summenformel | C12H8O4 |
| Durchschnittliche Molmasse | 216,19 g/mol |
| Monoisotopische Masse | 216,04225874 g/mol |
| SMILES | O=C(O)c1ccc(C(=O)O)c2ccccc12 |
| InChIKey | ABMFBCRYHDZLRD-UHFFFAOYSA-N |
| PubChem CID | 69065 |
| EC No. | 210-094-7 |
| DTXSID | DTXSID2060545 |
| Lokaler Name | Naphthalin-1,4-dicarbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 269 |
| Schmelzpunkt | >300 °C (lit.) |
| Siedepunkt | 490.2±28.0 °C(Predicted) |
| Dichte | 1.54 g/cm3 |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 2.71±0.10(Predicted) |
| Farbe | White to Yellow to Orange |
| Löslichkeit | Insoluble in water. |
| BRN | 2051255 |
| InChI | InChI=1S/C12H8O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h1-6H,(H,13,14)(H,15,16) |
| InChIKey | ABMFBCRYHDZLRD-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)=C2C(C=CC=C2)=C(C(O)=O)C=C1 |
| CAS Datenbank | 605-70-9(CAS DataBase Reference) |
| EPA chemische Informationen | 1,4-Naphthalenedicarboxylic acid (605-70-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 6.1% (3 of 49) of reports.WarningH315 (93.9%): 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 28-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/239501,4-Naphthalenedicarboxylic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Irrit. 2 (93.9%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29173990 |
| 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
Beschreibung
1,4-Naphthalenedicarboxylic acid is an important raw material for the production of polyester and other high-performance polymers. These polymers have excellent mechanical properties and thermal stability and are widely used in clothing materials, high-strength container materials and other fields.
Verwenden
It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.