HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benz[de]anthracen-7-on
benz[de]anthracen-7-one · Benzanthone · BENZANTHRONE · Benzoanthrone · Benzanthrenone · naphthanthrone · Ms-Benzanthrone · Benzanthrone,98%
![Molekülstruktur von Benz[de]anthracen-7-on](/img/chemical/6697.png)
Identifikatoren & physikalische Daten
| CAS No. | 82-05-3 |
|---|---|
| Summenformel | C17H10O |
| Durchschnittliche Molmasse | 230,26 g/mol |
| Monoisotopische Masse | 230,07316494 g/mol |
| SMILES | O=C1c2ccccc2-c2cccc3cccc1c23 |
| InChIKey | HUKPVYBUJRAUAG-UHFFFAOYSA-N |
| PubChem CID | 6697 |
| ChEMBL | CHEMBL1607517 |
| ChEBI | CHEBI:93350 |
| EC No. | 201-393-3 |
| DTXSID | DTXSID8052566 |
| Lokaler Name | Benz[de]anthracen-7-on |
Chemische & physikalische Eigenschaften
| XLogP | 4,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 348 |
| Polymers | Other Classes -> Polycyclic Aromatic Hydrocarbons |
| SpringerMaterials Properties | Boiling point |
| Color/Form | PALE YELLOW NEEDLES FROM XYLENE OR ALCOHOL |
| Löslichkeit | @ 20 °C: 0.52 G IN 100 G GLACIAL ACETIC ACID@ 20 °C: 1.61 G IN 100 G BENZENE@ 20 °C: 2.05 G IN 100 G CHLOROBENZENESOL IN ALCOHOL & OTHER ORG SOLVENTSChloroform (Slightly), Methanol (Slightly, Sonicated) |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 338 °F (NTP, 1992)170 °C168-170 °C(lit.) |
| Dampfdruck | 1 mmHg at 437 °F40 mmHg at 662.0 °F (NTP, 1992)0.00000022 [mmHg] |
| Physical Description | Benzanthrone appears as yellow needles. (NTP, 1992)Pale yellow solid[Merck Index] Light yellow powder[Alfa Aesar MSDS] |
| Collision Cross Section | 145.71 Ų [M+H]+ [CCS Type: DTMethod: stepped-field]144 Ų [M+H]+ |
| Other Experimental Properties | SOLN IN SULFURIC ACID IS ORANGE WITH GREEN FLUORESCENCE |
| Siedepunkt | 332.25°C (rough estimate) |
| Dichte | 1.0929 (rough estimate) |
| Brechungsindex | 1.5000 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| Farbe | Light Yellow to Yellow |
| Merck | 14,1063 |
| BRN | 1455646 |
| Henry-Konstante | 1.5×102 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| CAS Datenbank | 82-05-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzanthone(82-05-3) |
| EPA chemische Informationen | Benzanthrone (82-05-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.7%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include eye, skin, upper respiratory and mucous membrane irritation. |
| Gefahrenübersicht | Low acute but high sub-chronic toxicity in rats, mice, and rabbits manifesting by damage to blood and liverHistopathological and biochemical changes observed in blood, liver, testes, kidneys, and urinary bladder in 30-day feeding study of guinea pigs[HSDB] May cause irritation to eyes, skin, upper respiratory tract, and mucous membranes[CAMEO] A mild skin and moderate eye irritantCauses changes in hepatic microsomal mixed oxidase, other transferases, and other enzymes when applied to skin of mice intermittently for 34 weeksCauses impaired liver function, changes in liver and bladder weight, and changes in erythrocyte count in 30 and 90 day intermittent oral studies of rats[RTECS] A skin and severe eye irritant[Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS. |
| Reaktive Gruppe | Hydrocarbons, Aromatic |
| Special Reports | WENS EJ, WARD DMREVIEW OF THE TOXICOLOGY OF COLORED CHEMICAL SMOKES AND COLORED SMOKE DYESUS NTIS, AD/A REP 003827/3GA, 72 PP (1974). THIS REPORT IS A REVIEW OF THE INHALATION (TOTAL-BODY-EXPOSURE) STUDIES PERFORMED BY THE EDGEWOOD ARSENAL LAB DURING 1966 WITH THE M18 SERIES OF COLORED SMOKES.DACRE JC ET ALREPORT USAMBRDL-TR-7704 |
Anwendungen & Verwendung
Verwenden
Benzanthrone is reducing agent such as iron. Benzanthrone is an important intermediate for manufacturing vat dyes.