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| CAS No.: | 3529-01-9 |
|---|---|
| Name: | ACID BLUE 120 |
| Molecular Structure: | |
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| Formula: | C33H23N5Na2O6S2 |
| Molecular Weight: | 695.68 |
| Synonyms: | 1-Naphthalenesulfonicacid,8-[(4-methylphenyl)amino]-5-[[4-[(3-sulfophenyl)azo]-1-naphthalenyl]azo]-,disodium salt (9CI);Acid Cyanine 5R (6CI);C.I. Acid Blue 120 (7CI);C.I. AcidBlue 120, disodium salt (8CI);Acid Blue 120;Acid Blue GR;Acid Blue K;AcidBlue R;Acid Fast Blue V;Acid Leather Blue B;Acid Navy Blue GR;AmacidCyanine 3R;Amacid Cyanine GR;Azanol Cyanine Blue M;Benzyl Fast Blue B;Bucacid Wool Blue 3R;C.I. 26400;Calcocid Navy Blue 3R;Cirene Blue GRA;ClothBlue GR;Cloth Fast Blue B;Cloth Fast Blue SGR;Colorosacid Blue R;ConacidBlue ABO;Coomassie Navy Blue GN;Cyanine GR;Cyanine Navy Blue GR;CyanineNavy Blue GRX;Dycosweak Acid Navy Blue GR;Eniacid Blue GR;Eniacid Cloth BlueGR;Erio Fast Blue SG 2R;Erio Fast Blue SGR;Erionyl Blue SGR;Eriosin FastBlue SGR;Eriosin Navy Blue SGR;Fast Blue GR;Fast Wool Cyanone 3R;Fast WoolCyanone R;Fenazo Blue SGR;Folan Fast Navy Blue GR;Hispacid Cloth Blue GRF;Kayanol Cyanine GR;Kemacid Navy Blue GR;Mitsui Acid Fast Cyanine GRX;NeonylNavy Blue G;Neutral Blue GR;Neutral Fast Blue J;Polycor Blue B;Shikiso AcidCyanine 5RX;Solar Cyanine 5R;Sulfonine Blue 3R;Sulfonine Blue B;SulfonineBlue BN;Sulphon Cyanine GRA-CF;Sulphoncin Blue GR;Sulphonol Navy GR;SuminolCyanine GR extra;Supranol Fast Cyanine GR;Supranol Fast Cyanine GR Extra;Telon Fast Navy Blue G;Tracid Cyanine GR;Triacid Milling Navy Blue GRN;Triacor Blue RHGS;Vondamol Fast Blue GR;Wool Fast Blue GR;Yamada AcidCyanine GR;Disodium 8-[(4-methylphenyl)amino]-5-({4-[(3-sulfonatophenyl)diazenyl]-1-naphthyl}diazenyl)naphthalene-1-sulfonate;1-naphthalenesulfonic acid, 8-[(4-methylphenyl)amino]-5-[2-[4-[2-(3-sulfophenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:2); |
| EINECS: | 222-554-4 |
| Density: | 1.45g/cm3 |
| Appearance: | dark-brown to very dark blue or black powder |
| PSA: | 192.63000 |
| LogP: | 10.91860 |
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Specification
The 1-Naphthalenesulfonicacid,8-[(4-methylphenyl)amino]-5-[2-[4-[2-(3-sulfophenyl)diazenyl]-1-naphthalenyl]diazenyl]-,sodium salt (1:2), with the CAS registry number 3529-01-9 and EINECS registry number 222-554-4, has the systematic name and IUPAC name of disodium 8-(p-tolylamino)-5-[[4-(3-sulfonatophenyl)azo-1-naphthyl]azo]naphthalene-1-sulfonate. It is a kind of dark-brown to very dark blue or black powder, and the molecular formula of the chemical is C33H23N5Na2O6S2.
The characteristics of 1-Naphthalenesulfonicacid,8-[(4-methylphenyl)amino]-5-[2-[4-[2-(3-sulfophenyl)diazenyl]-1-naphthalenyl]diazenyl]-,sodium salt (1:2) are as followings: (1)H-Bond Donor 1; (2)H-Bond Acceptor 11; (3)Rotatable Bond Count 6; (4)Tautomer Count 3; (5)Exact Mass 695.088514; (6)MonoIsotopic Mass 695.088514; (7)Topological Polar Surface Area 193; (8)Heavy Atom Count 48; (9)Formal Charge 0; (10)Complexity 1270; (11)Isotope Atom Count 0; (12)Defined Atom StereoCenter Count 0; (13)Undefined Atom StereoCenter Count 0; (14)Defined Bond StereoCenter Count 0; (15)Undefined Bond StereoCenter Count 0; (16)Covalently-Bonded Unit Count 3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].[Na+].[O-]S(=O)(=O)c1cccc6c1c(Nc2ccc(C)cc2)ccc6N=Nc5ccc(N=Nc3cccc(c3)S([O-])(=O)=O)c4ccccc45
(2)InChI: InChI=1/C33H25N5O6S2.2Na/c1-21-12-14-22(15-13-21)34-31-19-18-30(27-10-5-11-32(33(27)31)46(42,43)44)38-37-29-17-16-28(25-8-2-3-9-26(25)29)36-35-23-6-4-7-24(20-23)45(39,40)41;;/h2-20,34H,1H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2
(3)InChIKey: BMYUQZABARGLAD-NUQVWONBAD