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CAS No.: | 6527-70-4 |
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Name: | Direct Blue 106 |
Molecular Structure: | |
Formula: | C30H16Cl2N4Na2O8S2 |
Molecular Weight: | 741.48 |
Synonyms: | 2,9-Triphenodioxazinedisulfonicacid, 6,13-dichloro-3,10-bis(phenylamino)-, disodium salt (9CI);C.I. DirectBlue 106, disodium salt (8CI);Benzanil Supra Blue 5GLL;C.I.Direct Blue 106;Chlorantine Fast Brilliant Blue 2GLL;Diamine Supra Blue FGL;Diazol Light Pure Blue FF 2JL;Direct Blue 106;Direct Brilliant Fast Sky Blue;Direct Brilliant Lightfast Sky Blue;Durazol Sky Blue G;Durazol Sky Blue GP;Dyrect Fast Sky Blue GD;Kayarus Supra Blue FF 2GL;Lightfast Brilliant Blue;Remastral Blue FF 2GL;Saturn Blue LB;Saturn Blue LFF 2G;Solamine Fast BlueFF 2GL;Solamine Light Blue FF 2GL;Solex Sky Blue GL;Solius Light Blue 2FGL;Solophenyl Blue BL;Solophenyl Brilliant Blue BL;Sumilight Supra Blue FF2GL;Tetramine Fast Blue FGL;Triantine Fast Blue VLL;Triantine Light Blue VLL; |
EINECS: | 229-417-8 |
PSA: | 192.74000 |
LogP: | 8.26680 |
Molecular Structure of Sirius supra blue fgl-CF stain (CAS NO.3626-29-7):
IUPAC Name: disodium 3,10-dianilino-6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine-2,9-disulfonate
Empirical Formula: C30H16Cl2N4Na2O8S2
Molecular Weight: 741.4856
ACD/LogP: 4.97
of Rule of 5 Violations: 2
ACD/LogD (pH 5.5): 0.47
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
H bond acceptors: 12
H bond donors: 4
Freely Rotating Bonds: 6
Polar Surface Area: 175.16 Å2
InChI
InChI=1/C30H18Cl2N4O8S2.2Na/c31-25-28-30(44-22-12-20(34-16-9-5-2-6-10-16)24(46(40,41)42)14-18(22)36-28)26(32)27-29(25)43-21-11-19(33-15-7-3-1-4-8-15)23(45(37,38)39)13-17(21)35-27;;/h1-14,33-34H,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2
Smiles
c12c(Cl)c3=Nc4cc(c(cc4Oc3c(c2=Nc2c(O1)cc(Nc1ccccc1)c(S(=O)(=O)[O-])c2)Cl)Nc1ccccc1)S(=O)([O-])=O.[Na+].[Na+]
EINECS: 229-417-8
Product Categories: Organics
Sirius supra blue fgl-CF stain , with CAS number of 3626-29-7, can be called 2,9-triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis(phenylamino)-, sodium salt (1:2) ; Disodium 3,10-dianilino-6,13-dichloro[1,4]benzoxazino[2,3-b]phenoxazine-2,9-disulfonate ; 2,9-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3,10-bis(phenylamino)-, disodium salt ; disodium 6,13-dichloro-3,10-bis(phenylamino)triphenodioxazine-2,9-disulphonate .