CAS No.15792-43-5,Tracid Red Bs Suppliers

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Basic Information

Molecular Structure:
CAS No.:	15792-43-5
Name:	Tracid Red Bs

Formula:	C₃₀H₃₉N₃O₈S₂^.2Na
Molecular Weight:	679.74
Synonyms:	1-Naphthol-3,6-disulfonicacid, 8-acetamido-2-(p-dodecylphenylazo)-, disodium salt (6CI);2,7-Naphthalenedisulfonic acid,5-(acetylamino)-3-[(4-dodecylphenyl)azo]-4-hydroxy-, disodium salt (9CI);C.I.Acid Red 138, disodium salt (8CI);Acid Pink B;Apollo Nylon FastBrilliant Red M-BW;Best Acid Milling Red BW;C.I. 18073;C.I. Acid Red 138;Carbolan Crimson B;Covalene Red 4B;Covanyl Red 4B;Dycosweak Acid Pink B;Kayanol Milling Red BW;Milling Red 6B;Napthazine Red 4B;Nylomine Acid Red C2B;Nylomine Acid Red P 2B;Suminol Milling Brilliant Red BS;Triacid FastMilling Red B;ACID RED 138;
EINECS:	239-893-9
PSA:	205.21000
LogP:	9.42540

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Specification

The IUPAC name of Acid Red 138 is disodium(3E)-5-acetamido-3-[(4-dodecylphenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate. With the CAS registry number 15792-43-5 and EINECS 239-893-9, it is also named as 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-((4-dodecylphenyl)azo)-4-hydroxy-, disodium salt. The product's categories are Dyes and Pigments; Organics. It is slightly soluble in water, insoluble in concentrated nitric acid

The other characteristics of this product can be summarized as: (1)ACD/LogP: 6.02; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (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: 11; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 178.48 Å²; (13)Rotatable Bond Count: 14; (14)Tautomer Count: 81; (15)Exact Mass: 677.181746; (16)MonoIsotopic Mass: 677.181746; (17)Topological Polar Surface Area: 202; (18)Heavy Atom Count 45; (19)Formal Charge 0; (20)Complexity 1190.

Preparation and Uses of Acid Red 138: Using p-dodecylaniline and N-acetyl H acid as raw materials. The condensation of p-dodecylaniline couples with N-acetyl H acid gives the product. It can be used in the dyeing of wool and silk.

People can use the following data to convert to the molecule structure.
1. SMILES:[Na+].[Na+].[O-]S(=O)(=O)c3cc(c2c(\C=C(/C(=N/Nc1ccc(cc1)CCCCCCCCCCCC)C2=O)S([O-])(=O)=O)c3)NC(=O)C
2. InChI:InChI=1/C30H39N3O8S2.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-22-14-16-24(17-15-22)32-33-29-27(43(39,40)41)19-23-18-25(42(36,37)38)20-26(31-21(2)34)28(23)30(29)35;;/h14-20,32H,3-13H2,1-2H3,(H,31,34)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/b33-29-;;
3. InChIKey:BEWAGWHWLOIJFD-KYRYUEOGBF