China (Mainland)
Acid Red 138 CAS NO.15792-43-5
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- Product Details
Keywords
- Covalene Red 4B
- Covanyl Red 4B
- C.I. 18073
Quick Details
- ProName: Acid Red 138
- CasNo: 15792-43-5
- Application: The IUPAC name of Acid Red 138 is diso...
- ProductionCapacity: Metric Ton/Day
- Purity: 99
- Transportation: The IUPAC name of Acid Red 138 is diso...
- LimitNum: 0 Metric Ton
Superiority
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
Details
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