4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid

Base Information

• Chemical Name: 4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid
• CAS No.: 88-76-6
• Molecular Formula: C10H9ClN2O4S
• Molecular Weight: 288.70
• Hs Code.: 2933199090
• European Community (EC) Number: 201-858-0
• NSC Number: 26425,4691
• DSSTox Substance ID: DTXSID1058977
• Nikkaji Number: J182.054K
• Wikidata: Q72454481
• Mol file: 88-76-6.mol

Synonyms:88-76-6;4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid;4-Chloro-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid;4-chloro-3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid;Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-;4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid;EINECS 201-858-0;NSC 26425;Benzenesulfonic acid, 4-chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)-;NSC4691;Chloropyrazolic Acid 5;C10H9ClN2O4S;DTXSID1058977;SCHEMBL18267342;C10-H9-Cl-N2-O4-S;NSC-4691;NSC26425;NSC-26425;4-Chloro-3-(3-methyl-5-oxo-4,5-dihydro-1-pyrazolyl)benzenesulfonic Acid;AKOS004912549;CS-W016718;AS-73254;SY057744;FT-0623696;M0665;D77799;A842890;W-100388;1-(2'-chloro-5'-sulfonglphengl)-3-methyl-5-pyrazolone;1-(2-Chloro-5-sulfophenyl)-3-methyl-5(4H)-pyrazolone;1-(2\'-Chloro-5\'-sulfophenyl)-3-methyl-5-pyrazolone;4-chlor-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzensulfonsyre;4-CHLORO-3-(3-METHYL-5-OXO-2-PYRAZOLIN-1-YL)-BENZENESULFONIC ACID;4-chloranyl-3-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonic acid;4-chloro-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid;4-Chloro-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid #

Chemical Property of 4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid

Chemical Property:

• Appearance/Colour: LIGHT CREAM COLOUR MOSIT CRYSTALS
• Melting Point: 344 °C(lit.)
• Refractive Index: 1.681
• PKA: -0.96±0.50(Predicted)
• PSA: 95.42000
• Density: 1.64 g/cm³
• LogP: 2.28070
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 287.9971556
• Heavy Atom Count: 18
• Complexity: 485

Purity/Quality:

98% ^*data from raw suppliers

4-CHLORO-3-(3-METHYL-5-OXO-2-PYRAZOLIN-1-YL)-BENZENESULFONIC ACID Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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