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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)

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Name

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)

EINECS 280-306-0
CAS No. 83249-37-0 Density N/A
PSA 262.62000 LogP 11.57370
Solubility N/A Melting Point N/A
Formula C32H24Cl2N10Na2O6S2 Boiling Point N/A
Molecular Weight 825.61 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 83249-37-0 (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]) Hazard Symbols N/A
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];

 

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) 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

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