5-Chloro-1,3-dimethyl-1H-pyrazole-4-sulfonic acid

Base Information

• Chemical Name: 5-Chloro-1,3-dimethyl-1H-pyrazole-4-sulfonic acid
• CAS No.: 499785-48-7
• Molecular Formula: C5H7ClN2O3S
• Molecular Weight: 210.64
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID10383230
• Wikidata: Q82174880
• Mol file: 499785-48-7.mol

Synonyms:5-Chloro-1,3-dimethyl-1H-pyrazole-4-sulfonic acid;499785-48-7;5-chloro-1,3-dimethylpyrazole-4-sulfonic acid;SCHEMBL2650212;DTXSID10383230;MFCD00052537;AKOS025393645;TS-00427;BB 0304064;CS-0327146;FT-0620202;A923790

Chemical Property of 5-Chloro-1,3-dimethyl-1H-pyrazole-4-sulfonic acid

Chemical Property:

• Melting Point: 308 °C
• Refractive Index: 1.636
• PKA: -2.40±0.50(Predicted)
• PSA: 80.57000
• Density: 1.68g/cm³
• LogP: 1.70940
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 209.9865910
• Heavy Atom Count: 12
• Complexity: 262

Purity/Quality:

98%Min ^*data from raw suppliers

5-Chloro-1,3-dimethyl-1H-pyrazole-4-sulfonic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: C:Corrosive
• Statements: R34:Causes burns.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1S(=O)(=O)O)Cl)C