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6387-17-3

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Basic Information
CAS No.: 6387-17-3
Name: 5-chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid
Molecular Structure:
Molecular Structure of 6387-17-3 (5-chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid)
Formula: C11H11 Cl N2 O4 S
Molecular Weight: 302.73404
Synonyms: m-Toluenesulfonicacid, 5-chloro-4-(3-methyl-5-oxo-2-pyrazolin-1-yl)- (6CI,8CI)
EINECS: 228-991-7
Density: 1.58 g/cm3
Appearance: Off white crystalline powder
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Chemistry

Molecular Structure of 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid (CAS NO.6387-17-3):

IUPAC Name: 3-Chloro-5-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid 
Molecular Formula: C11H11ClN2O4S
Molecular Weight: 302.73
EINECS: 228-991-7 
Index of Refraction: 1.665
Molar Refractivity: 70.83 cm3
Molar Volume: 190.6 cm3
Surface Tension: 59.5 dyne/cm
Density: 1.58 g/cm3
Appearance: Off white crystalline powder
Canonical SMILES: CC1=NN(C(=O)C1)C2=C(C=C(C=C2C)S(=O)(=O)O)Cl
InChI: InChI=1S/C11H11ClN2O4S/c1-6-3-8(19(16,17)18)5-9(12)11(6)14-10(15)4-7(2)13-14/h3,5H,4H2,1-2H3,(H,16,17,18)
InChIKey: QENFKLWBWWDGLL-UHFFFAOYSA-N

Specification

 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid (CAS NO.6387-17-3), its Synonyms are Benzenesulfonic acid,3-chloro-4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-5-methyl- ; m-Toluenesulfonicacid, 5-chloro-4-(3-methyl-5-oxo-2-pyrazolin-1-yl)- (6CI,8CI) ; 1-(2-Methyl-4-sulfo-6-chlorophenyl)-3-methyl-5-pyrazolone ; 3-Chloro-5-methyl-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid ; 1-(2-Chloro-6-methyl-4-sulfophenyl)-3-methyl-2-pyrazolin-5-one5-chloronaphthyl- ; 1-(2-Chloro-6-methyl-4-sulfophenyl)-3-methyl-2-pyrazolin-5-one ; 1-(6-Chloro-2-methyl-4-sulfophenyl)-3-methyl-2-pyrazolin-5-one ; 3-Chloro-5-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid ; 3-Chloro-4-(4,5-dihydro-3-methyl-5-oxopyrazol-1-yl)-5-methylbenzenesulfonic acid .