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HCID 31422Erstellt: 26. Oktober 2026
Naphthalin-1,4,5,8-tetracarbonsure
60.0%(NMR) · Synthetic dyestuff · 1,4,5,8-Naphthalenet · 1,4,5,8-Tetracarboxynaphthalene · 1,4,5,8-naphthalenetetraformicacid · 1,4,5,8-Naphthalenetetracarbonic acid · 1,4,5,8-Naphthalenetetracarboxylicaci · 1,4,5, 8-naphthyltetracarboxylic acid
https://huagongshe.com/de/chemical/31422
Identifikatoren & physikalische Daten
| CAS No. | 128-97-2 |
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| Summenformel | C14H8O8 |
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| Durchschnittliche Molmasse | 304,21 g/mol |
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| Monoisotopische Masse | 304,02191722 g/mol |
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| SMILES | O=C(O)c1ccc(C(=O)O)c2c(C(=O)O)ccc(C(=O)O)c12 |
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| InChIKey | OLAPPGSPBNVTRF-UHFFFAOYSA-N |
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| PubChem CID | 31422 |
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| ChEMBL | CHEMBL367553 |
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| EC No. | 204-924-7 |
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| DTXSID | DTXSID4059592 |
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| Lokaler Name | Naphthalin-1,4,5,8-tetracarbonsure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 149 |
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| H-Brücken-Donoren | 4 |
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| H-Brücken-Akzeptoren | 8 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 22 |
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| Formalladung | 0 |
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| Komplexität | 423 |
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| Schmelzpunkt | 180 °C |
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| Siedepunkt | 405.05°C (rough estimate) |
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| Dichte | 1.5387 (rough estimate) |
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| Brechungsindex | 1.5500 (estimate) |
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| Lagerbedingungen | Storage temp. 2-8°C |
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| Löslichkeit | Soluble in water |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 1.03±0.10(Predicted) |
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| Farbe | White to Light yellow to Light orange |
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| InChI | InChI=1S/C14H8O8/c15-11(16)5-1-2-6(12(17)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22) |
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| InChIKey | OLAPPGSPBNVTRF-UHFFFAOYSA-N |
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| SMILES | C1(C(O)=O)=C2C(C(C(O)=O)=CC=C2C(O)=O)=C(C(O)=O)C=C1 |
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| CAS Datenbank | 128-97-2(CAS DataBase Reference) |
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| NIST chemische Informationen | 1,4,5,8-Naphthalenetetracarboxylic acid(128-97-2) |
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| EPA chemische Informationen | 1,4,5,8-Naphthalenetetracarboxylic acid (128-97-2) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (21.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Sens. 1 (21.2%) |
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| Wassergefährdungsklasse (WGK) | 2 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29173990 |
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| RTECS-Nr. | QK3690000 |
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| R-Sätze (R) | 36 |
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| Toxizität | mouse,LD50,oral,3800mg/kg (3800mg/kg),"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 90, 1982. |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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