1,5-Naphthalenedisulfonic acid, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-

Base Information

• Chemical Name: 1,5-Naphthalenedisulfonic acid, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
• CAS No.: 6838-01-3
• Molecular Formula: C14H12 N2 O7 S2
• Molecular Weight: 384.38428
• Hs Code.: 2933199090
• European Community (EC) Number: 229-926-5
• UNII: 4FRN2CNP5S
• DSSTox Substance ID: DTXSID8064486
• Nikkaji Number: J40.202H
• Wikidata: Q81991596
• Mol file: 6838-01-3.mol

Synonyms:6838-01-3;1,5-Naphthalenedisulfonic acid, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-;3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)naphthalene-1,5-disulfonic acid;3-(3-methyl-5-oxo-4H-pyrazol-1-yl)naphthalene-1,5-disulfonic acid;3-(3-methyl-5-oxo-2H-pyrazol-1(5H)-yl)naphthalene-1,5-disulfonic acid;ChemDiv1_017500;4FRN2CNP5S;DTXSID8064486;HMS636L10;EINECS 229-926-5;MFCD00044034;AKOS004912553;1-(4,8-Disulfonaphthalen-2-yl)-3-methyl-1H-pyrazol-5(4H)-one;1,5-Naphthalenedisulfonic acid, 3-(3-methyl-5-oxo-2-pyrazolin-1-yl)-;1,5-Naphthalenedisulfonic acid, 3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)-;3-(5-Hydroxy-3-methyl-1H-pyrazol-1-yl)-1,5-naphthalenedisulfonic acid;3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-1,5-naphthalenedisulfonic acid;3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)naphthalene-1,5-disulphonic acid;107143-03-3

Chemical Property of 1,5-Naphthalenedisulfonic acid, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-

Chemical Property:

• PKA: -0.48±0.40(Predicted)
• PSA: 163.29000
• Density: 1.75g/cm³
• LogP: 3.28220
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 384.00859307
• Heavy Atom Count: 25
• Complexity: 794

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=O)C1)C2=CC3=C(C=CC=C3S(=O)(=O)O)C(=C2)S(=O)(=O)O