Molecular Structure of 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one (CAS NO.89-36-1):
IUPAC Name: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
Empirical Formula:: C10H10N2O4S
Molecular Weight: 254.26
EINECS: 201-901-3
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 84.42Å2
Index of Refraction: 1.666
Molar Refractivity: 61.81 cm3
Molar Volume: 166.1 cm3
Surface Tension: 63.9 dyne/cm
Density: 1.53 g/cm3
Melting point: >252 °C (dec.)(lit.)
Water Solubility: 5 g/L (20 °C)
Appearance: Beige powder.
Boiling Point: 477 °C
Product Categories: Intermediates of Dyes and Pigments; Heterocyclic Compounds
Hazard Codes: C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 1759 8/PG 2
WGK Germany: 1
3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one , with CAS number of 89-36-1, can be called 1-(4-Sulfophenyl)-3-methyl-5-pyrazolone ; 1-(4'-Sulfophenyl)-3-methyl-5-pyrazolone ; 1-(p-Sulfophenyl)-3-methyl-5-pyrazolone ; 1-(p-Sulfophenyl)-3-methylpyrazolin-5-one ; 3-Methyl-1-(4-sulfophenyl)-5-pyrazolone ; Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- ; 4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid .
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