m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid

Base Information

• Chemical Name: m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid
• CAS No.: 85554-80-9
• Molecular Formula: C10H12 N2 O3 S
• Molecular Weight: 240.27888
• European Community (EC) Number: 287-613-9
• DSSTox Substance ID: DTXSID20234744
• Nikkaji Number: J310.682I
• Wikidata: Q83116572
• Mol file: 85554-80-9.mol

Synonyms:85554-80-9;m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid;EINECS 287-613-9;DTXSID20234744;3-(3-Methyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid;3-[(4,5-Dihydro-3-methyl-1H-pyrazol)-1-yl]benzenesulfonic acid

Chemical Property of m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid

Chemical Property:

• PSA: 78.35000
• Density: 1.42g/cm³
• LogP: 2.10070
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 240.05686342
• Heavy Atom Count: 16
• Complexity: 385

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(CC1)C2=CC(=CC=C2)S(=O)(=O)O

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