C.I. Acid Violet 48 supplier | CasNO.72243-90-4

Name
disodium 3-[[4-amino-9,10-dihydro-9,10-dioxo-3-[sulphonato-4-(1,1,3,3-tetramethylbutyl)phenoxy]-1-anthryl]amino]-2,4,6-trimethylbenzenesulphonate
EINECS 276-516-7
CAS No. 72243-90-4
Density 1.45[at 20℃]
Solubility 36.31g/L at 20℃
Melting Point
Formula C₃₇H₃₈N₂Na₂O₉S₂
Boiling Point
Molecular Weight 764.81516
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenesulfonicacid,3-[[4-amino-9,10-dihydro-9,10-dioxo-3-[sulfo-4-(1,1,3,3-tetramethylbutyl)phenoxy]-1-anthracenyl]amino]-2,4,6-trimethyl-,disodium salt (9CI);
PSA 212.58000
LogP 9.84310

C.I. Acid Violet 48 Specification

The IUPAC name of C.I. Acid Violet 48 is disodium 3-[[4-amino-9,10-dioxo-3-[2-sulfonato-4-(2,4,4-trimethylpentan-2-yl)phenoxy]anthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonate. With the CAS registry number 72243-90-4, it is also named as Benzenesulfonic acid, 3-((4-amino-9,10-dihydro-9,10-dioxo-3-(sulfo-4-(1,1,3,3-tetramethylbutyl)phenoxy)-1-anthracenyl)amino)-2,4,6-trimethyl-, disodium salt. The product's categories is organics. In addition, it is used as a colorant dye for textiles as well as in cleaning products. If used, C.I. Acid Violet 48 would be expected to be released to waste water during industrial processing and consumer use.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 6.66; (2)# of Rule of 5 Violations: 4; (3)#H bond acceptors: 11; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 10; (6)Rotatable Bond Count: 7; (7)Tautomer Count: 12; (8)Exact Mass: 764.181412; (9)MonoIsotopic Mass: 764.181412; (10)Topological Polar Surface Area: 213; (11)Heavy Atom Count: 52; (12)Complexity: 1450; (13)Covalently-Bonded Unit Count: 3.

People can use the following data to convert to the molecule structure.
1. SMILES: [Na+].[Na+].[O-]S(=O)(=O)c1c(cc(c(c1C)Nc5c3C(=O)c2ccccc2C(=O)c3c(c(Oc4ccc(cc4S([O-])(=O)=O)C(C)(C)CC(C)(C)C)c5)N)C)C;
2. InChI: InChI=1/C37H40N2O9S2.2Na/c1-19-15-20(2)35(50(45,46)47)21(3)32(19)39-25-17-27(31(38)30-29(25)33(40)23-11-9-10-12-24(23)34(30)41)48-26-14-13-22(16-28(26)49(42,43)44)37(7,8)18-36(4,5)6;;/h9-17,39H,18,38H2,1-8H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2.

Product Name

disodium 3-[[4-amino-9,10-dihydro-9,10-dioxo-3-[sulphonato-4-(1,1,3,3-tetramethylbutyl)phenoxy]-1-anthryl]amino]-2,4,6-trimethylbenzenesulphonate

C.I. Acid Violet 48 Specification

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