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Anthraquinone-2,7-disulfonic acid disodium salt

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  • Name Anthraquinone-2,7-disulfonic acid disodium salt
  • EINECS212-718-3
  • CAS No. 853-67-8
  • Density0.838g/mLat 25°C(lit.)
  • PSA165.30000
  • LogP2.43180
  • Solubilityalmost transparency
  • Melting PointN/A
  • FormulaC14H8 O8 S2 . 2 Na
  • Boiling Point112-114°C(lit.)
  • Molecular Weight412.308
  • Flash Point90°F
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesR10; R36/37/38
  • Molecular Structure
    Molecular Structure of 853-67-8 (ANTHRAQUINONE-2,7-DISULFONIC ACID DISODIUM SALT)
  • Hazard SymbolsXi
  • SynonymsXi

Anthraquinone-2,7-disulfonic acid disodium salt 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.

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