1H-Pyrazole-3-carboxylic acid, 4-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-

Base Information

• Chemical Name: 1H-Pyrazole-3-carboxylic acid, 4-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-
• CAS No.: 29092-63-5
• Deprecated CAS: 26424-23-7
• Molecular Formula: C20H20 N4 O14 S3
• Molecular Weight: 636.5862
• European Community (EC) Number: 249-425-5
• DSSTox Substance ID: DTXSID50885445
• Nikkaji Number: J286.514I
• Mol file: 29092-63-5.mol

Synonyms:EINECS 249-425-5;29092-63-5;1H-Pyrazole-3-carboxylic acid, 4-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-;1H-Pyrazole-3-carboxylic acid, 4-(2-(2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-;1H-Pyrazole-3-carboxylic acid, 4-[[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-;1H-Pyrazole-3-carboxylic acid, 4-[2-[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-;4-((4-((2-Hydroxyethyl)sulphonyl)-2,5-dimethoxyphenyl)azo)-5-oxo-1-(p-sulphophenyl)-2-pyrazoline-3-carboxylic acid, hydrogen sulphate (ester);4-[[4-[(2-hydroxyethyl)sulphonyl]-2,5-dimethoxyphenyl]azo]-5-oxo-1-(p-sulphophenyl)-2-pyrazoline-3-carboxylic acid, hydrogen sulphate (ester);DTXSID50885445;C20H20N4O14S3;C20-H20-N4-O14-S3;2-Pyrazoline-3-carboxylic acid, 4-[[4-[(2-hydroxyethyl)sulfonyl]-2,5-dimethoxyphenyl]azo]-5-oxo-1-(p-sulfophenyl)-, hydrogen sulfate (ester);4-[[4-[(2-Sulfooxyethyl)sulfonyl]-2,5-dimethoxyphenyl]azo]-5-oxo-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid

Chemical Property of 1H-Pyrazole-3-carboxylic acid, 4-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-

Chemical Property:

• Density: 1.77g/cm³
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 12
• Exact Mass: 636.01381485
• Heavy Atom Count: 41
• Complexity: 1360

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)OC)S(=O)(=O)CCOS(=O)(=O)O