5,9,14,18-Anthrazinetetrol,7,16-dichloro-6,15-dihydro-, 5,9,14,18-tetrakis(hydrogen sulfate), sodium salt(1:4) supplier

Name
Vat Blue 6, Solubilized
EINECS 219-744-4
CAS No. 2519-28-0
Density
Solubility
Melting Point
Formula C₂₈H₁₂Cl₂N₂Na₄O₁₆S₄
Boiling Point
Molecular Weight 923.5238
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5,9,14,18-Anthrazinetetrol,7,16-dichloro-6,15-dihydro-, tetrakis(hydrogen sulfate) (ester), tetrasodiumsalt (8CI,9CI);Ahcovat Soluble Blue IBC;Algosol Blue IBC;Anthrasol Blue IBC;Arlindone Blue IBC;C.I. 69826;C.I. Solubilised Vat Blue 6, tetrasodium salt;Cibantine Blue FGF;Cibantine Blue GF;Daitosol Blue IBC;Fenanthra Blue IBC;Indigosol Blue IBC;Leucogene Blue BF;Mikethrene Soluble Blue IBC;SandozolBlue BC;Solasol Blue SBS;Solatic Blue 2RC;Soledon Blue 2RC;Soledon Blue2RCX;Soledon Blue IBC;Tinosol Blue BC;Vat Solubilized Blue K;
PSA 330.82000
LogP 8.81020

5,9,14,18-Anthrazinetetrol,7,16-dichloro-6,15-dihydro-, 5,9,14,18-tetrakis(hydrogen sulfate), sodium salt(1:4) Specification

The 5,9,14,18-Anthrazinetetrol,7,16-dichloro-6,15-dihydro-, 5,9,14,18-tetrakis(hydrogen sulfate), sodium salt(1:4) is an organic compound with the formula C₂₈H₁₂Cl₂N₂Na₄O₁₆S₄. The IUPAC name of this chemical is tetrasodium 7,16-dichloro-6,15-dihydrodinaphtho[2,3-a:2',3'-h]phenazine-5,9,14,18-tetrayl tetrasulfate. With the CAS registry number 2519-28-0, it is also named as tetrasodium 7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrayl tetrakis(sulphate).

Physical properties about 5,9,14,18-Anthrazinetetrol,7,16-dichloro-6,15-dihydro-, 5,9,14,18-tetrakis(hydrogen sulfate), sodium salt(1:4) are: (1)ACD/LogP: 6.15; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): -0.35; (4)ACD/LogD (pH 7.4): -0.35; (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: 18; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 294.4 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc2c1c7c(c(Cl)cc1c(OS([O-])(=O)=O)c3c2cccc3)Nc6c(c(Cl)cc5c(OS([O-])(=O)=O)c4ccccc4c(OS([O-])(=O)=O)c56)N7
(2)InChI: InChI=1/C28H16Cl2N2O16S4.4Na/c29-17-9-15-19(27(47-51(39,40)41)13-7-3-1-5-11(13)25(15)45-49(33,34)35)23-21(17)32-24-20-16(10-18(30)22(24)31-23)26(46-50(36,37)38)12-6-2-4-8-14(12)28(20)48-52(42,43)44;;;;/h1-10,31-32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44);;;;/q;4*+1/p-4
(3)InChIKey: BBUUHUCPYAPBCE-XBHQNQODAO
(4)Std. InChI: InChI=1S/C28H16Cl2N2O16S4.4Na/c29-17-9-15-19(27(47-51(39,40)41)13-7-3-1-5-11(13)25(15)45-49(33,34)35)23-21(17)32-24-20-16(10-18(30)22(24)31-23)26(46-50(36,37)38)12-6-2-4-8-14(12)28(20)48-52(42,43)44;;;;/h1-10,31-32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44);;;;/q;4*+1/p-4
(5)Std. InChIKey: BBUUHUCPYAPBCE-UHFFFAOYSA-J

Product Name

Vat Blue 6, Solubilized

5,9,14,18-Anthrazinetetrol,7,16-dichloro-6,15-dihydro-, 5,9,14,18-tetrakis(hydrogen sulfate), sodium salt(1:4) Specification

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