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Acenaphthenchinon
ACENAPHTHYLENE-1,2-DIONE · 1,2-Acenaphthenequinone · ACQ · ACENAPHTHOQUINONE · ACENAPHTHEQUINONE · 1,2-ACENAPHTHYLENEDIONE · acenaphthylene-1,2-quinone · AKOS 92207
Identifikatoren & physikalische Daten
| CAS No. | 82-86-0 |
|---|---|
| Summenformel | C12H6O2 |
| Durchschnittliche Molmasse | 182,17 g/mol |
| Monoisotopische Masse | 182,03677943 g/mol |
| SMILES | O=C1C(=O)c2cccc3cccc1c23 |
| InChIKey | AFPRJLBZLPBTPZ-UHFFFAOYSA-N |
| PubChem CID | 6724 |
| ChEMBL | CHEMBL395653 |
| ChEBI | CHEBI:15342 |
| EC No. | 201-441-3 |
| DTXSID | DTXSID7049429 |
| Lokaler Name | Acenaphthenchinon |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 267 |
| SpringerMaterials Properties | Crystal structure |
| Pestizide | Pesticides -> Fungicides |
| LogP (Verteilungskoeffizient) | 1.95 |
| Color/Form | YELLOW NEEDLES FROM ACETIC ACID |
| Löslichkeit | INSOL IN WATERSLIGHTLY SOL IN ACETIC ACIDSLIGHTLY SOL IN ALC, HOT BENZENEHOT PETROLEUM ETHERChloroformINSOLUBLE |
| Schmelzpunkt | 261 °C249-252 °C (dec.) (lit.) |
| Dampfdruck | 0.0000157 [mmHg] |
| Physical Description | Yellow solid[HSDB] Yellow powder[MSDSonline] |
| Collision Cross Section | 145.51 Ų [M+H]+ [CCS Type: DTMethod: stepped-field]143.8 Ų [M+H]+ |
| Siedepunkt | 67 C |
| Dichte | 1.4800 |
| Brechungsindex | 1.6086 (estimate) |
| Lagerbedingungen | Refrigerator |
| Aggregatzustand | Powder and Granules |
| Farbe | Ochre |
| BRN | 879172 |
| InChI | InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H |
| InChIKey | AFPRJLBZLPBTPZ-UHFFFAOYSA-N |
| SMILES | C1(=O)C2C3C(C=CC=2)=CC=CC=3C1=O |
| CAS Datenbank | 82-86-0(CAS DataBase Reference) |
| NIST chemische Informationen | 1,2-Acenaphthylenedione(82-86-0) |
| EPA chemische Informationen | 1,2-Acenaphthylenedione (82-86-0) |
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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Acenaphthenequinone: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | An irritant[MSDSonline] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Human Toxicity Excerpts | QUINONES...SHOWN TO BE RESPONSIBLE FOR BROWN DISCOLORATION OF CORNEA & EXPOSED BULBAR CONJUNCTIVA WHICH GRADUALLY DEVELOPED IN WORKERS WHO WERE EXPOSED TO VAPORS ASSOCIATED WITH MFR...OF SYNTHETIC ANILINE DYES. /QUINONES/ |
| Non-Human Toxicity Excerpts | CONJUGATED DOUBLE BONDS IN QUINONE RINGS ARE VERY REACTIVE CHEM, ESP WITH SULFHYDRYL GROUPS. PRESUMABLY AS RESULT OF THIS REACTIVITY, QUINONES COMMONLY INHIBIT MITOTIC PROCESSES, INACTIVATE ENZYMES, & DENATURE PROTEINS. /QUINONES/ |
| Non-Human Toxicity Values | LD50 ALTERNARIA SOLAN: 10 PPM ON SLIDES |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2920 |
| Zollcode | 29146990 |
| RTECS-Nr. | AB1024500 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 unr-rat: 728 mg/kg RPTOAN 41,146,78 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 82-86-0(Hazardous Substances Data) |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Acenaphthenequinone is used in the preparation of acetylcholinesterase inhibitory agents. It is also used in the preparation of turn-on sensors for cysteine/homocysteine and its application in bioimaging. Further, it is used as an intermediate in manufacturing of dyes and pharmaceuticals. In addition to this, it is used in chemical research as a drug and therapeutic agent.