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| CAS No.: | 635-12-1 |
|---|---|
| Name: | 1,4-ANTHRAQUINONE |
| Article Data: | 41 |
| Molecular Structure: | |
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| Formula: | C14H8O2 |
| Molecular Weight: | 208.216 |
| Synonyms: | 1,4-Anthracenequinone;1,4-Anthraquinone;NSC 104530; |
| EINECS: | 211-228-7 |
| Density: | 1.328 g/cm3 |
| Melting Point: | 217 °C |
| Boiling Point: | 406 °C at 760 mmHg |
| Flash Point: | 152 °C |
| Solubility: | insoluble in water |
| Appearance: | orange brown solid |
| Safety: | 22-24/25 |
| PSA: | 34.14000 |
| LogP: | 2.77500 |
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- Total:33 Page 1 of 1 1
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Specification
The 1,4-Anthracenedione, with the CAS registry number 635-12-1, is also known as 1,4-Dioxoanthracene. Its EINECS registry number is 211-228-7. This chemical's molecular formula is C14H8O2 and molecular weight is 208.21. Its IUPAC name is called anthracene-1,4-dione. When you are using this chemical, please be cautious about it. You should not breathe its dust. In addition, you must avoid contacting it with skin and eyes. This chemical is orange brown solid.
Physical properties of 1,4-Anthracenedione: (1)ACD/LogP: 3.02; (2)ACD/LogD (pH 5.5): 3.02; (3)ACD/LogD (pH 7.4): 3.02; (4)ACD/BCF (pH 5.5): 116.16; (5)ACD/BCF (pH 7.4): 116.16; (6)ACD/KOC (pH 5.5): 1046.59; (7)ACD/KOC (pH 7.4): 1046.59; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.702; (10)Molar Refractivity: 60.74 cm3; (11)Molar Volume: 156.6 cm3; (12)Surface Tension: 59.6 dyne/cm; (13)Density: 1.328 g/cm3; (14)Flash Point: 152 °C; (15)Enthalpy of Vaporization: 65.77 kJ/mol; (16)Boiling Point: 406 °C at 760 mmHg; (17)Vapour Pressure: 8.39E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,4-dihydroxy-anthraquinone. This reaction will need reagent sodium borohydride and solvent methanol. The reaction time is 1 hour with reaction temperature of 0 °C. The yield is about 95%.
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Uses of 1,4-Anthracenedione: it can be used to produce 1-methyl-1,4,4a,12a-tetrahydronaphthacene-5,12-dione by heating. This reaction will need solvent CHCl3 with reaction time of 72 hours. The yield is about 48%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C=C3C(=O)C=CC(=O)C3=CC2=C1
(2)InChI: InChI=1S/C14H8O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-8H
(3)InChIKey: LSOTZYUVGZKSHR-UHFFFAOYSA-N