Introduction：Basic information about CAS 100900-16-1|1,4-Chrysenequinone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,4-Chrysenequinone |
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| CAS Number | 100900-16-1 | Molecular Weight | 258.271 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 499.5±45.0 °C at 760 mmHg |
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| Molecular Formula | C18H10O2 | Melting Point | 210-212ºC(lit.) |
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| MSDS | / | Flash Point | 184.7±25.7 °C |
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Names
| Name | 1,4-Chrysenequinone |
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| Synonym | More Synonyms |
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1,4-Chrysenequinone BiologicalActivity
| Description | 1,4-Chrysenequinone, a polycyclic aromatic quinone, acts as an activator of aryl hydrocarbon receptor (AhR). |
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| Related Catalog | Signaling Pathways >>Immunology/Inflammation >>Aryl Hydrocarbon ReceptorResearch Areas >>Cancer |
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| Target | AhR[1] |
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| In Vitro | 1,4-Chrysenequinone shows significant AhR ligand activity, with ECTCDD25s (concentration equivalent with 25% of TCDD max) of 9.7 nM and 1.9 μM in yeast and mouse hepatoma cell systems, respectively[1]. |
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| Cell Assay | Mouse hepatoma (H1L1.1c2) cells (1.5 × 105 cells/well) are cultured in 96-well culture plates, and samples (1,4-Chrysenequinone) dissolved in dimethyl sulfoxide are added to the medium to achieve a final solvent concentration of 1%. After the plates are incubated at 37°C in 5% CO2 for 24 h, the cell viability is confirmed under a microscope. Subsequently, the medium is removed, and the cells are lysed. Adding luciferin as the substrate, the luciferase activity is determined under a luminometer and reported as relative light units. The concentrations producing luciferase activity equal to 25% of the maximal response to TCDD are calculated and also referred to as the ECTCDD25. The ratios of the ECTCDD25 of B[a]P to the ECTCDD25 of each of the compounds are calculated and referred to as IEFs[1]. |
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| References | [1]. Misaki K, et al. Aryl hydrocarbon receptor ligand activity of polycyclic aromatic ketones and polycyclic aromatic quinones. Environ Toxicol Chem. 2007 Jul;26(7):1370-9. |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 499.5±45.0 °C at 760 mmHg |
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| Melting Point | 210-212ºC(lit.) |
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| Molecular Formula | C18H10O2 |
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| Molecular Weight | 258.271 |
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| Flash Point | 184.7±25.7 °C |
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| Exact Mass | 258.068085 |
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| PSA | 34.14000 |
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| LogP | 4.25 |
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| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
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| Index of Refraction | 1.761 |
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| InChIKey | UORKIKBNUWJNJF-UHFFFAOYSA-N |
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| SMILES | O=C1C=CC(=O)c2c1ccc1c2ccc2ccccc21 |
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Safety Information
| Hazard Codes | Xn: Harmful; |
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| Risk Phrases | R20/21/22 |
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| Safety Phrases | 36 |
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| WGK Germany | 3 |
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| HS Code | 2914399090 |
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Customs
| HS Code | 2914399090 |
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| Summary | 2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
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Synonyms
| 1,4-CHRYSENEQUINONE |
| Chrysene-1,4-dione |
| Chrysene-1,4-quinone |
| 1,4-Chrysenedione |
