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| CAS No.: | 853-67-8 |
|---|---|
| Name: | ANTHRAQUINONE-2,7-DISULFONIC ACID DISODIUM SALT |
| Molecular Structure: | |
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|
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| Formula: | C14H8 O8 S2 . 2 Na |
| Molecular Weight: | 412.308 |
| Synonyms: | 2,7-Anthracenedisulfonicacid, 9,10-dihydro-9,10-dioxo-, disodium salt (7CI,8CI,9CI);Anthraquinone-2,7-disulfonic acid disodium salt;Disodium9,10-anthraquinone-2,7-disulfonate;Disodium anthraquinone-2,7-disulfonate;Sodium anthraquinone-2,7-disulfonate; |
| EINECS: | 212-718-3 |
| Density: | 0.838g/mLat 25°C(lit.) |
| Boiling Point: | 112-114°C(lit.) |
| Flash Point: | 90°F |
| Solubility: | almost transparency |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | R10; R36/37/38 |
| PSA: | 165.30000 |
| LogP: | 2.43180 |
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Specification
The Anthraquinone-2,7-disulfonic acid disodium salt, with the CAS registry number 853-67-8,is also known as 2,7-Anthracenedisulfonicacid, 9,10-dihydro-9,10-dioxo-, sodium salt (1:2). It belongs to the product categories of Anthraquinones;Anthraquinonesulfonic Acids. Its EINECS number is 212-718-3. This chemical's molecular formula is C14H6Na2O8S2 and molecular weight is 412.3. What's more,Its systematic name is Anthraquinone-2,7-disulfonic acid disodium salt.It is used as desulfurizer and used to make dyes and pigments
Physical properties about Anthraquinone-2,7-disulfonic acid disodium salt are:
(1)ACD/LogP: -0.112; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.61; (4)ACD/LogD (pH 7.4): -4.61; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2.
You can still convert the following datas into molecular structure:
(1)SMILES:[Na+].[Na+].[O-]S(=O)(=O)c3ccc2C(=O)c1c(cc(cc1)S([O-])(=O)=O)C(=O)c2c3;
(2)Std. InChI:InChI=1S/C14H8O8S2.2Na/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)12-6-8(24(20,21)22)2-4-10(12)13;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2;
(3)Std. InChIKey:CSCLXYAAXMCWLG-UHFFFAOYSA-L.