Basic information
- Name:
3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one
- CAS No.:
89-36-1
- Molecular Structure:
- Formula:
- C10H10N2O4S
- Molecular Weight:
- 254.26
- Deleted CAS:
- 74583-53-2
- Synonyms:
- Benzenesulfonicacid, p-(3-methyl-5-oxo-2-pyrazolin-1-yl)- (7CI,8CI);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;3-Methyl-1-(4-sulfophenyl)pyrazolin-5-one;3-Methyl-1-(p-sulfophenyl)-2-pyrazolin-5-one;3-Methyl-1-(p-sulfophenyl)-5-pyrazolone;3-Methyl-1-phenyl-5-pyrazolone-4'-sulfonic acid;4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid;Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-;Pyrazoline G;p-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid;
- EINECS:
- 201-901-3
- Density:
- 1.53 g/cm3
- Melting Point:
- >252 °C (dec.)(lit.)
- Solubility:
- 5 g/L (20 °C) in water
- Appearance:
- Beige powder
- Hazard Symbols:
C- Risk Codes:
- 34
- Safety Description:
- 26-36/37/39-45 Details
- Transport Information:
- UN 1759 8/PG 2
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Chemistry
Molecular Structure of 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one (CAS NO.89-36-1):
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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
Safety Profile
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
Specification
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 .
