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CAS No.: 88-76-6
Name: 4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid
Molecular Structure:
Molecular Structure of 88-76-6 (4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid)
Formula: C10H9ClN2O4S
Molecular Weight: 288.70
Synonyms: NSC 26425;NSC 4691;1-(2-Chloro-5-sulfophenyl)-3-methyl-5-pyrazolone;1-(6-Chloro-3-sulfophenyl)-3-methyl-5-pyrazolone;1-(2'-Chloro-5'-sulfophenyl)-3-methyl-5-pyrazolone;Benzenesulfonic acid,4-chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)- (6CI,7CI,8CI);2-Pyrazolin-5-one,1-(2-chloro-5-sulfophenyl)-3-methyl- (5CI);
EINECS: 201-858-0
Density: 1.64 g/cm3
Melting Point: 344 °C(lit.)
Appearance: LIGHT CREAM COLOUR MOSIT CRYSTALS
Hazard Symbols: IrritantXi
Risk Codes: 43
Safety: 36/37
PSA: 95.42000
LogP: 2.28070
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Chemistry


IUPAC Name: 4-Chloro-3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid 
Empirical Formula: C10H9ClN2O4S
Molecular Weight: 288.7075
Canonical SMILES: CC1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)O)Cl
InChI: InChI=1S/C10H9ClN2O4S/c1-6-4-10(14)13(12-6)9-5-7(18(15,
16)17)2-3-8(9)11/h2-3,5H,4H2,1H3,(H,15,16,17)
InChIKey: UWLNKHDLVZEYKQ-UHFFFAOYSA-N
XLogP3-AA: 0.6
H-Bond Donor: 1
H-Bond Acceptor: 5 
EINECS: 201-858-0 
Index of Refraction: 1.681
Molar Refractivity: 66.41 cm3
Molar Volume: 175.4 cm3 
Surface Tension: 65.2 dyne/cm
Density: 1.64 g/cm3 
Melting Point: 344 °C(lit.)
Product Categories of 4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid (CAS NO.88-76-6): Intermediates of Dyes and Pigments

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 43 
R43:May cause sensitization by skin contact.
Safety Statements 36/37 
S36/37:Wear suitable protective clothing and gloves.
WGK Germany of 4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid (CAS NO.88-76-6): 3

Specification

  4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid (CAS NO.88-76-6), its Synonyms are 4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid ; Benzenesulfonic acid, 4-chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)- (8CI) ; Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- .