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Naphthalin-2,3-dicarbonsure
NAPHTHALENE-2,3-DICARBOXYLIC ACID · NAPHTHALICACID · 2,3-NAPHTHALICACID · RARECHEM AL BO 0619 · Naphthalin-2,3-dicarbonsure · ,3-Naphthalenedicarboxylic acid · naphthalene-2,3-dicarboxylicaci · 2,3-NAPHTHALENEDICARBOXYLIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 2169-87-1 |
|---|---|
| Summenformel | C12H8O4 |
| Durchschnittliche Molmasse | 216,19 g/mol |
| Monoisotopische Masse | 216,04225874 g/mol |
| SMILES | O=C(O)c1cc2ccccc2cc1C(=O)O |
| InChIKey | KHARCSTZAGNHOT-UHFFFAOYSA-N |
| PubChem CID | 95073 |
| EC No. | 218-517-7 |
| DTXSID | DTXSID9062229 |
| Lokaler Name | Naphthalin-2,3-dicarbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| 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 | 238-240 °C (dec.) (lit.) |
| Siedepunkt | 316.6°C (rough estimate) |
| Dichte | 1.3023 (rough estimate) |
| Brechungsindex | 1.7080 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.95±0.30(Predicted) |
| Farbe | Off-white |
| BRN | 1967507 |
| InChI | InChI=1S/C12H8O4/c13-11(14)9-5-7-3-1-2-4-8(7)6-10(9)12(15)16/h1-6H,(H,13,14)(H,15,16) |
| InChIKey | KHARCSTZAGNHOT-UHFFFAOYSA-N |
| SMILES | C1=C2C(C=CC=C2)=CC(C(O)=O)=C1C(O)=O |
| CAS Datenbank | 2169-87-1(CAS DataBase Reference) |
| EPA chemische Informationen | 2,3-Naphthalenedicarboxylic acid (2169-87-1) |
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 40 reports by companies from 3 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 | 29173995 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,3-Naphthalenedicarboxylic Acid (cas# 2169-87-1) is a compound useful in organic synthesis.