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Anthron
anthracen-9(10H)-one · Anthron · Anthranone · 9(10H)-ANTHRACENONE · (10H)-9-Anthracenone · ANTHRONE · AnthroneGr · CARBOTHRONE
Identifikatoren & physikalische Daten
| CAS No. | 90-44-8 |
|---|---|
| Summenformel | C14H10O |
| Durchschnittliche Molmasse | 194,23 g/mol |
| Monoisotopische Masse | 194,07316494 g/mol |
| SMILES | O=C1c2ccccc2Cc2ccccc21 |
| InChIKey | RJGDLRCDCYRQOQ-UHFFFAOYSA-N |
| PubChem CID | 7018 |
| ChEMBL | CHEMBL124440 |
| ChEBI | CHEBI:33835 |
| EC No. | 201-994-0 |
| DTXSID | DTXSID1049431 |
| Lokaler Name | Anthron |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 234 |
| Polymers | Other Classes -> Polycyclic Aromatic Hydrocarbons |
| SpringerMaterials Properties | Angular frequency |
| LogP (Verteilungskoeffizient) | Log Kow = 3.663.46 |
| Color/Form | ORTHORHOMBIC NEEDLES FROM BENZENE AND PETROLEUM ETHERCOLORLESS NEEDLES |
| Löslichkeit | SOL IN MOST ORG SOLVENTS WITHOUT FLUORESCENCESOL IN ACETONE, HOT BENZENE, CONCN SULFURIC ACID, HOT DIL ALKALIINSOLUBLE |
| Schmelzpunkt | 155 °C154-157 °C (lit.) |
| Dampfdruck | 0.0000183 [mmHg] |
| Physical Description | Colorless solid[Hawley] Colorless crystalline powder[Alfa Aesar MSDS] |
| Stability/Shelf Life | TENDENCY TO CHANGE TO ANTHRAQUINONE /IN SOLN/ |
| Other Experimental Properties | ANY FLUORESCENCE PRESENT IS DUE TO ANTHRANOLADDITION CMPD WITH 4 MOLECULES DESOXYCHOLIC ACID, C110-H170-O17, MP 179 °CEQUIL IN ABSOLUTE ALCOHOL: 89% ANTHRONE11% ANTHRANOLTENDENCY TO CHANGE TO ANTHRAQUINONE |
| Siedepunkt | 721 °C |
| Dichte | 1.0550 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Powder |
| Farbe | Yellow |
| Merck | 14,691 |
| BRN | 1910173 |
| Henry-Konstante | 1.2×101 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stabilität | Stable. Incompatible with strong oxidizing agents. Combustible. |
| Hauptanwendungen | diagnostic assay manufacturinghematologyhistology |
| InChI | 1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2 |
| InChIKey | RJGDLRCDCYRQOQ-UHFFFAOYSA-N |
| SMILES | O=C1c2ccccc2Cc3ccccc13 |
| CAS Datenbank | 90-44-8(CAS DataBase Reference) |
| NIST chemische Informationen | Anthrone(90-44-8) |
| EPA chemische Informationen | 9(10H)-Anthracenone (90-44-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 3.9% (2 of 51) of reports.WarningH315 (96.1%): 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 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 9(10H)-Anthracenone9(10H)-Anthracenone: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and severe eye irritant[Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS. |
| Hazard Classes and Categories | Skin Irrit. 2 (96.1%) |
| Entsorgungsverfahren | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| Umweltverhalten | TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 2300(SRC), determined from a measured log Kow(2) and a recommended regression-derived equation(3), indicates that anthrone will have only slight mobility in soil(SRC). Biodegradation of anthrone is expected based on limited data and may be a major fate process for this compound in soil(SRC). A mixed bacterial population, isolated from a hydrocarbon-polluted creek, degraded 40% of anthrone to traces of anthrone and to anthraquinone in 30% yield(4). Anthrone's estimated values for vapor pressure(5) and Henry's Law constant(6,SRC) indicate that volatilization from dry and moist soil surfaces is not likely to be a major fate process for this compound(SRC).AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 2300(SRC), determined from a measured log Kow(2) and a recommended regression-derived equation(3), indicates that anthrone should adsorb to sediment and suspended solids(SRC). Anthrone may volatilize slowly from water surfaces based on an estimated Henry's Law constant of 7.9X10-7 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Estimated half-lives for a model river and model lake are 65 and 480 days, respectively(3,SRC). An estimated BCF value of 360(3,SRC), from a measured log Kow(2), suggests that anthrone will bioconcentrate in aquatic organisms(SRC), according to a recommended classification scheme(5).ATMOSPHERIC FATE: According to a suggested classification scheme(1), an estimated vapor pressure of 1.8X10-5 mm Hg at 25 °C(2,SRC) indicates that anthrone will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase anthrone is degraded in the atmosphere by reaction with photochemically produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be about 40 hours(3,SRC). Particulate-phase anthrone may be physically removed from the air by dry deposition(SRC). |
| Animal Concentrations | Snails, Thais haemostoma, which had been collected from two areas offshore in Pensacola Bay, FL near an onshore hazardous-waste site contained anthrone/phenanthrone at unreported concentrations(1). |
| Effluent Concentrations | Several unspecified isomers of anthrone were detected in chlorinated coal-tar leachate at unreported concentrations(1). A heavy-duty diesel exhaust particulate sample, NBS SRM 1650, contained anthrone at unreported concentrations(2). Diesel emission particulates, collected from a Volkswagen Rabbit contained anthrone(3). Fine particle emissions from the combined exhaust of a vented natural gas-fired residential space heater plus a water heater contained 21.4 pg/kJ anthrone(4). |
| Soil Adsorption/Mobility | The Koc of anthrone is estimated as approximately 2300(SRC), using a measured log Kow of 3.66(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that anthrone has only slight mobility in soil(SRC). |
| Atmospheric Concentrations | REMOTE: Anthrone was found on aerosols from the southern North Atlantic Ocean, at a mean concentration of 0.47 ng/cu m(1). |
| Artificial Pollution Sources | Anthrone's production and use in organic synthesis and as a general reagent for carbohydrates(1) may result in its release to the environment through various waste streams(SRC). |
| Sediment/Soil Concentrations | Superficial marine sediments of Cortiou Creek, in the sewage area of Marseilles, France, are contaminated with anthrone at concentrations ranging from non-detectable to 300 ng/g (9 of 10 sites had measurable quantities of anthronedetection limit not given)(1). |
| Environmental Bioconcentration | An estimated BCF value of 360 was calculated for anthrone(SRC), using a measured log Kow of 3.66(1) and a recommended regression-derived equation(2). According to a recommended classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms will be an important fate process(SRC). |
| Volatilization from Water/Soil | The Henry's Law constant for anthrone is estimated as 7.9X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that anthrone will slowly volatilize from water surfaces(2,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 65 days(2,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 480 days(2,SRC). Anthrone's values for vapor pressure(3) and Henry's Law constant(1,SRC) indicate that volatilization from dry and moist soil surfaces is not likely to be a major fate process for this compound(SRC). |
| Environmental Abiotic Degradation | The rate constant for the vapor-phase reaction of anthrone with photochemically produced hydroxyl radicals has been estimated as 9.8X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 40 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). |
| Probable Routes of Human Exposure | NIOSH (NOES Survey 1981-1983) has statistically estimated that 28 workers are potentially exposed to anthrone in the USA(1). |
| Environmental Water Concentrations | DRINKING WATER: Two samples of Ottawa drinking water, one collected in January and the other in February 1978, contained non-detectable (detection limit not reported) and 1.4 ng/L anthrone, respectively(1). |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29143990 |
| RTECS-Nr. | CB8925500 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Toxizität | mmo-sat 60 mg/plate MUREAV 157,149,85 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 90-44-8(Hazardous Substances Data) |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
Anthron bildet blaßgelbe, wasserunlösliche Nadeln. Es ist leicht löslich in Benzol. Die Verbindung wird zur kolorimetrischen Bestimmung von Kohlenhydraten und zur Herstellung von Küpenfarbstoffen verwendet. In der Biochemie wird Anthron zur Hemmung der Prostaglandinsynthese in Zellen verwendet.
Verwenden
Anthrone is a tricyclic aromatic ketone and related compound of anthracene. Anthrone is used as a reagent in the colorometric determination of carbohydrates.