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| CAS No.: | 81-61-8 |
|---|---|
| Name: | 1,2,5,8-Tetrahydroxyanthraquinone |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C14H8O6 |
| Molecular Weight: | 272.214 |
| Synonyms: | Khinalizarin;1,2,5,8-Tetrahydroxy-9,10-anthraquinone;9,10-Anthracenedione, 1,2,5,8-tetrahydroxy-;Quinalizarin;1,2,5, 8-Tetrahydroxy-9,10-anthraquinone;Alizarinbordeux;9, 10-Anthracenedione, 1,2,5,8-tetrahydroxy-;1,2,5,8-Tetrahydroxy-9,10-anthracenedione;9,10-Anthracenedione,1,2,5,8-tetrahydroxy-;1,2,5,8-Tetrahydroxyanthracinon;Anthraquinone, 1,2,5,8-tetrahydroxy-;Alizarinbordeaux;Alizarin Bordeaux BD;Alizarine Bordeaux;4-08-00-03683 (Beilstein Handbook Reference);1,2,5,8-tetrahydroxyanthracene-9,10-dione;1,4,5,6-Tetrahydroxyanthraquinone;1,2,5, 8-Tetrahydroxyanthracinon;C.I. Mordant Violet 26;Alizarine Bordeaux B;1,2,5,8-Tetrahydroxy-9,10-anthra-cenedione;9,10-Anthracenedione, 1,2,5,8-tetrahydroxy-(9CI);1,2,5,8-tetrahydroxyanthracene-9,...;C.I. 58500;Mordant Violet 26;Quinalizarine; |
| EINECS: | 201-366-6 |
| Density: | 1.781 g/cm3 |
| Melting Point: | >275° |
| Boiling Point: | 517.1 °C at 760 mmHg |
| Flash Point: | 280.6 °C |
| Solubility: | 2.586mg/L(25 oC) |
| Hazard Symbols: | Xn,N |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 115.06000 |
| LogP: | 1.28440 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The 1,2,5,8-Tetrahydroxyanthraquinone, with the CAS registry number 81-61-8, is also known as 1,2,5,8-Tetrahydroxy-9,10-anthracenedione. It belongs to the product category of Miscellaneous. Its EINECS registry number is 201-366-6. This chemical's molecular formula is C14H8O6 and molecular weight is 272.20972. Its IUPAC name is called 1,2,5,8-tetrahydroxyanthracene-9,10-dione. This chemical's classification code is Mutation data. The product should be sealed and stored in dry place. This chemical can be used in the determination of trace beryllium, magnesium, calcium, aluminum, lanthanum, thorium, cerium, praseodymium, neodymium (Nd), zirconium and boron.
Physical properties of 1,2,5,8-Tetrahydroxyanthraquinone: (1)ACD/LogP: 5.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.03; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 3623.04; (6)ACD/BCF (pH 7.4): 56.44; (7)ACD/KOC (pH 5.5): 11171.68; (8)ACD/KOC (pH 7.4): 174.03; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.814; (13)Molar Refractivity: 66.19 cm3; (14)Molar Volume: 152.7 cm3; (15)Surface Tension: 110.8 dyne/cm; (16)Density: 1.781 g/cm3; (17)Flash Point: 280.6 °C; (18)Enthalpy of Vaporization: 81.91 kJ/mol; (19)Boiling Point: 517.1 °C at 760 mmHg; (20)Vapour Pressure: 2.59E-11 mmHg at 25°C.
Uses of 1,2,5,8-Tetrahydroxyanthraquinone: it can be used to produce 1,2,5,8-tetrakis-benzyloxy-anthraquinone with bromomethyl-benzene by heating. This reaction will need reagent Cs2CO3 and solvents acetone, dimethylformamide with reaction time of 24 hours. The yield is about 66%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)O)O)O
(2)InChI: InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
(3)InChIKey: VBHKTXLEJZIDJF-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD | oral | > 500mg/kg (500mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 36, 1953. |