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HCID 80990Erstellt: 27. Oktober 2026
4-Aminonaphthalin-1,8-dicarbonsaeureanhydrid
6-amino-1H,3H-benzo[de]isochromene-1,3-dione · 6-aMinobenzo[de]isochroMene-1,3-dione · 4-ANI · TIMTEC-BB SBB003425 · TIMTEC-BB SBB000529 · 8-naphthalic anhydride · 4-AMINO-1,8-NAPHTHALIMIDE · 4-amino-1,8-naphthoic anhydride
https://huagongshe.com/de/chemical/80990
Identifikatoren & physikalische Daten
| CAS No. | 6492-86-0 |
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| Summenformel | C12H7NO3 |
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| Durchschnittliche Molmasse | 213,19 g/mol |
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| Monoisotopische Masse | 213,04259308 g/mol |
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| SMILES | Nc1ccc2c3c(cccc13)C(=O)OC2=O |
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| InChIKey | QIXHMCMCFSNKOG-UHFFFAOYSA-N |
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| PubChem CID | 80990 |
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| ChEMBL | CHEMBL2323375 |
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| EC No. | 229-372-4 |
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| DTXSID | DTXSID10215229 |
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| Lokaler Name | 4-Aminonaphthalin-1,8-dicarbonsaeureanhydrid |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 69,4 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 341 |
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| Schmelzpunkt | 360 °C |
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| Siedepunkt | 501.4±33.0 °C(Predicted) |
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| Dichte | 1.105 g/mL at 25 °C(lit.) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
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| pKa (Säurekonstante) | 1.15±0.20(Predicted) |
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| Aggregatzustand | powder |
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| InChI | InChI=1S/C12H7NO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H,13H2 |
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| InChIKey | QIXHMCMCFSNKOG-UHFFFAOYSA-N |
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| SMILES | C1(=O)OC(=O)C2=CC=C(N)C3=C2C1=CC=C3 |
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| CAS Datenbank | 6492-86-0(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| RTECS-Nr. | DE4081000 |
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| R-Sätze (R) | 45-20/21/22-36/37/38 |
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| Gefahrensymbole | T |
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| Sicherheitshinweise (S) | 53-22-26-36/37/39-45 |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 1BEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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