1-(4-Sulfophenyl)-3-methyl-5-pyrazolone , 98% , 89-36-1

Synonym(s):
3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one;4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid

CAS NO.：89-36-1

Empirical Formula: C10H10N2O4S

Molecular Weight: 254.26

MDL number: MFCD00020756

EINECS: 201-901-3

PRODUCT Properties

• Melting point: >252 °C (dec.) (lit.)
• Density: 1.4456 (rough estimate)
• vapor pressure: 0.001Pa at 20℃
• refractive index: 1.5650 (estimate)
• storage temp.: Sealed in dry,Room Temperature
• pka: pKa 4.90 (H2O t = 37 I = 0.15) (Uncertain)
• form: Powder
• color: White to Orange to Green
• Water Solubility: 5 g/L (20 ºC)
• BRN: 619424
• InChI: InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16)
• InChIKey: CWJQQASJVVAXKL-UHFFFAOYSA-N
• SMILES: C1(S(O)(=O)=O)=CC=C(N2C(=O)CC(C)=N2)C=C1
• LogP: -2.04 at 23℃ and pH7
• CAS DataBase Reference: 89-36-1(CAS DataBase Reference)
• EPA Substance Registry System: Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- (89-36-1)

Description and Uses

1-(4-Sulfophenyl)-3-methyl-5-pyrazolone (4-(3-methyl-5-oxo-2-pyrazolin-1-yl) benzoic acid) was used for pre-column derivatization of carbohydrates. It was also used as derivatization reagent in determination of oligosides, mannose and galactose obtained by degradation of galactomannans.

Safety

• Symbol(GHS): GHS05
• Signal word: Danger
• Hazard statements: H314
• Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
• PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
• Hazard Codes: C
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• RIDADR: UN 1759 8/PG 2
• WGK Germany: 1
• TSCA: TSCA listed
• HazardClass: 8
• PackingGroup: II
• HS Code: 29331990
• Storage Class: 8A - Combustible corrosive hazardous materials
• Hazard Classifications: Skin Corr. 1B