Trilithium 2-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-5-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzene-1,4-disulphonate

Base Information

• Chemical Name: Trilithium 2-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-5-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzene-1,4-disulphonate
• CAS No.: 84051-91-2
• Molecular Formula: C20H17 Cl N8 O11 S3 . 3 Li
• Molecular Weight: 694.84316
• European Community (EC) Number: 281-881-0
• Nikkaji Number: J297.466E
• Mol file: 84051-91-2.mol

Synonyms:EINECS 281-881-0;84051-91-2;Trilithium 2-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-5-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzene-1,4-disulphonate;Trilithium 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-5-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzene-1,4-disulphonate;C20H17ClN8O11S3.3Li;C20-H17-Cl-N8-O11-S3.3Li;1,4-Benzenedisulfonicacid,2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-5-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-,lithium salt(1:3);2-[(4-Chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-5-[[[4,5-dihydro-3-methyl-5-oxo-1-[4-[(lithiooxy)sulfonyl]phenyl]-1H-pyrazol]-4-yl]azo]-1,4-benzenedisulfonic acid dilithium salt

Chemical Property of Trilithium 2-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-5-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzene-1,4-disulphonate

Chemical Property:

• PSA: 317.29000
• LogP: 3.02940
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 6
• Exact Mass: 694.0112798
• Heavy Atom Count: 46
• Complexity: 1380

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [Li+].[Li+].[Li+].CC1=NN(C(=O)C1N=NC2=C(C=C(C(=C2)S(=O)(=O)[O-])NC3=NC(=NC(=N3)Cl)OC)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-]