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Alizarin brilliant blue BS

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Name

Alizarin brilliant blue BS

EINECS 204-913-7
CAS No. 128-86-9 Density 2.088 g/cm3
PSA 252.14000 LogP 2.85500
Solubility N/A Melting Point N/A
Formula C14H10N2O10S2 Boiling Point N/A
Molecular Weight 430.373 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 128-86-9 (Solvent Blue 74) Hazard Symbols N/A
Synonyms

4,8-Diamino-1,5-dihydroxy-9,10-dihydro-9,10-dioxo-2,6-anthracenedisulfonic acid, disodium salt;4,8-Diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulphonic acid;4,8-diamino-1,5-dihydroxy-9,10-dioxo-anthracene-2,6-disulfonic acid;2,6-Anthracenedisulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-;

 

Alizarin brilliant blue BS Specification

The Alizarin brilliant blue BS, with the CAS registry number 128-86-9, is also known as 2,6-Anthracenedisulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-. It belongs to the product category of Solvent Dyestuff. Its EINECS number is 204-913-7. This chemical's molecular formula is C14H10N2O10S2 and molecular weight is 359.41. What's more, its systematic name is 4,8-diamino-1,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid. 

Physical properties of Alizarin brilliant blue BS are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3.29; (4)ACD/LogD (pH 7.4): -4.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 12; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 162.58 Å2; (13)Index of Refraction: 1.822; (14)Molar Refractivity: 89.88 cm3; (15)Molar Volume: 206 cm3; (16)Polarizability: 35.63×10-24cm3; (17)Surface Tension: 141.7 dyne/cm; (18)Density: 2.088 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c3cc(N)c2c(C(=O)c1c(cc(c(O)c1C2=O)S(=O)(=O)O)N)c3O
(2)InChI: InChI=1S/C14H10N2O10S2/c15-3-1-5(27(21,22)23)11(17)9-7(3)13(19)10-8(14(9)20)4(16)2-6(12(10)18)28(24,25)26/h1-2,17-18H,15-16H2,(H,21,22,23)(H,24,25,26)
(3)InChIKey: MVWQCFNJWMLYDF-UHFFFAOYSA-N

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