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2-Chloranthrachinon
2-CHLOROANTHRACENE-9,10-DIONE · 2-Chloroanthra-9,10-quinone · NSC1702 · NSC 1702 · NSC-1702 · 2-chloro-9 · 2-CHLORO AQ · 'LGC' (2408)
Identifikatoren & physikalische Daten
| CAS No. | 131-09-9 |
|---|---|
| Summenformel | C14H7ClO2 |
| Durchschnittliche Molmasse | 242,65 g/mol |
| Monoisotopische Masse | 242,0134572 g/mol |
| SMILES | O=C1c2ccccc2C(=O)c2cc(Cl)ccc21 |
| InChIKey | FPKCTSIVDAWGFA-UHFFFAOYSA-N |
| PubChem CID | 8553 |
| ChEMBL | CHEMBL3186676 |
| EC No. | 205-010-0 |
| DTXSID | DTXSID7049213 |
| Lokaler Name | 2-Chloranthrachinon |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 352 |
| Physical Description | Grey or green powder[Alfa Aesar MSDS] |
| Kovats Retention Index | 2116.8353355.88356356.47 |
| Schmelzpunkt | 209-211 °C (lit.) |
| Siedepunkt | 345.65°C (rough estimate) |
| Dichte | 1.2377 (rough estimate) |
| Brechungsindex | 1.5380 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light orange to Yellow |
| Löslichkeit | insoluble |
| BRN | 2051842 |
| Henry-Konstante | 4.2×103 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | InChI=1S/C14H7ClO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H |
| InChIKey | FPKCTSIVDAWGFA-UHFFFAOYSA-N |
| SMILES | C1=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1Cl |
| CAS Datenbank | 131-09-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Chloroanthraquinone(131-09-9) |
| EPA chemische Informationen | 9,10-Anthracenedione, 2-chloro- (131-09-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (15.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (82.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H331 (15.4%): Toxic if inhaled [Danger Acute toxicity, inhalation]H332 (15.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (80.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H400 (15.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: 9,10-Anthracenedione, 2-chloro-2-Chloroanthraquinone: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Not irritating to skin or eyes of rabbitsA skin sensitizer in guinea pigs[IUCLID] Causes impaired liver function tests, kidney changes, and erythrocyte count changes in 30-day intermittent oral studies of rats[RTECS] A skin and strong eye irritantHarmful by ingestion[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (25%)Skin Irrit. 2 (98.1%)Eye Irrit. 2 (82.7%)STOT SE 3 (80.8%) |
| Unerwünschte Wirkungen | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29147090 |
| RTECS-Nr. | CB6151000 |
| R-Sätze (R) | 36/37/38-43-36/37 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39-24 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Skin Sens. 1 |
Anwendungen & Verwendung
Verwenden
2-Chloroanthraquinone is an important dye intermediate that can be used to make alizarin and aminoanthraquinone. This product has been evaluated as a photo-reagent for the analysis of ginsenosides using photoreduction fluorescence (PRF) detection method.
Herstellung & Synthese
synthetische
2-Chloroanthraquinone is prepared by condensing phthalic anhydride and chlorobenzene into p-chlorobenzoylbenzoic acid, and then cyclizing it with sulfuric acid.