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| CAS No.: | 83249-37-0 |
|---|---|
| Name: | disodium 3,3'-[(2,2'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis[azo(5-amino-3-methyl-1H-pyrazole-4,1-diyl)]]bis[benzenesulphonate] |
| Molecular Structure: | |
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| Formula: | C32H24Cl2N10Na2O6S2 |
| Molecular Weight: | 825.61 |
| Synonyms: | Disodium 3-[5-amino-4-[4-[4-[5-amino-3-methyl-1-(3-sulfonatophenyl)pyrazol-4-yl]azo-2-chloro-phenyl]-3-chloro-phenyl]azo-3-methyl-pyrazol-1-yl]benzenesulfonate;Disodium 3,3'-[(2,2'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis[azo(5-amino-3-methyl-1H-pyrazole-4,1-diyl)]]bis[benzenesulphonate]; |
| EINECS: | 280-306-0 |
| PSA: | 262.62000 |
| LogP: | 11.57370 |
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Specification
The Benzenesulfonic acid,3,3'-[(2,2'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis[azo(5-amino-3-methyl-1H-pyrazole-4,1-diyl)]]bis-,disodium salt (9CI), with the CAS registry number 83249-37-0, is also known as Disodium 3,3'-[(2,2'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis[azo(5-amino-3-methyl-1H-pyrazole-4,1-diyl)]]bis[benzenesulphonate]. Its EINECS number is 280-306-0. This chemical's molecular formula is C32H24Cl2N10Na2O6S2 and molecular weight is 825.61. What's more, its systematic name is disodium 3-[5-amino-4-[4-[4-[5-amino-3-methyl-1-(3-sulfonatophenyl)pyrazol-4-yl]azo-2-chloro-phenyl]-3-chloro-phenyl]azo-3-methyl-pyrazol-1-yl]benzenesulfonate.
Physical properties of Benzenesulfonic acid,3,3'-[(2,2'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis[azo(5-amino-3-methyl-1H-pyrazole-4,1-diyl)]]bis-,disodium salt (9CI) are: (1)#H bond acceptors: 16; (2)#H bond donors: 6; (3)#Freely Rotating Bonds: 11; (4)Polar Surface Area: 268.28 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)n6nc(C)c(N=Nc2ccc(c(Cl)c2)c3ccc(cc3Cl)N=Nc5c(C)nn(c4cc(ccc4)S([O-])(=O)=O)c5N)c6N
(2)InChI: InChI=1S/C32H26Cl2N10O6S2.2Na/c1-17-29(31(35)43(41-17)21-5-3-7-23(15-21)51(45,46)47)39-37-19-9-11-25(27(33)13-19)26-12-10-20(14-28(26)34)38-40-30-18(2)42-44(32(30)36)22-6-4-8-24(16-22)52(48,49)50;;/h3-16H,35-36H2,1-2H3,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2
(3)InChIKey: CBXRMWQMBBPCHJ-UHFFFAOYSA-L