4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-benzenesulfonic acid
3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one
CAS: 89-36-1
Molecular Formula: C10H10N2O4S
4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-benzenesulfonic acid - Names and Identifiers
| Name | 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one |
| Synonyms | SMP 1-(4-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE 3-Methyl-1-(4-sulfophenyl)-5-pyrazolone 1-(P-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE 1-(4-Sulfophenyl)-3-methyl-5-pyrazolone 3-Methyl-1-(4-sulfonphenyl)-5-pyrazolone 1-(4-SULPHOPHENYL)-3-METHYL-5-PYRAZOLONE 1-(4-Sulfonphenyl)-3-methyl-5-pyrazolone 1-(4'-sulfonylphenyl)-3-methyl-5-pyrazolone 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one 3-METHYL-1-(P-SULFOPHENYL)-2-PYRAZOLIN-5-ONE 4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate 4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid 4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid 4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-benzenesulfonic acid 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one, 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid |
| CAS | 89-36-1 |
| EINECS | 201-901-3 |
| InChI | InChI=1/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)/p-1 |
| InChIKey | CWJQQASJVVAXKL-UHFFFAOYSA-N |
4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-benzenesulfonic acid - Physico-chemical Properties
| Molecular Formula | C10H10N2O4S |
| Molar Mass | 254.26 |
| Density | 1.4456 (rough estimate) |
| Melting Point | >252 °C (dec.) (lit.) |
| Water Solubility | 5 g/L (20 ºC) |
| Vapor Presure | 0.001Pa at 20℃ |
| Appearance | Crystallization |
| Color | White to Orange to Green |
| BRN | 619424 |
| pKa | pKa 4.90 (H2Ot = 37I = 0.15) (Uncertain) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5650 (estimate) |
| MDL | MFCD00020756 |
| Physical and Chemical Properties | Melting point> 252°C (dec.) water-soluble 5g/L (20°C) |
| Use | Used as an intermediate in medicine, dye and pigment |
4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-benzenesulfonic acid - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | 34 - Causes burns |
| Safety Description | 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.) |
| UN IDs | UN 1759 8/PG 2 |
| WGK Germany | 1 |
| HS Code | 29331990 |
| Hazard Class | 8 |
| Packing Group | II |
4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-benzenesulfonic acid - Nature
Open Data Verified Data
White needle-like or light yellow crystal, melting point 290~320 ℃ (decomposition). Slightly soluble in hot water, slightly soluble in cold water, soluble in liquid alkali, difficult to dissolve in ethanol, acetic acid, ether.
Last Update：2024-01-02 23:10:35
4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-benzenesulfonic acid - Preparation Method
Open Data Verified Data
after diazotization of p-aminobenzenesulfonic acid with sodium nitrite and hydrochloric acid, reduction with sodium bisulfite and sodium carbonate, hydrolysis with sulfuric acid to obtain p-sulfophenylhydrazine, condensation with acetoacetamide, cyclization and acid analysis to obtain pyrazolone.
Last Update：2022-01-01 10:54:03
4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-benzenesulfonic acid - Introduction
Solubility in water: 5g/L (20°C).
Last Update：2022-10-16 17:29:37
4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-benzenesulfonic acid - Use
Open Data Verified Data
an intermediate for producing dyes such as acid yellow G and weak acid yellow G.
Last Update：2022-01-01 10:54:02
4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-benzenesulfonic acid - Safety
Open Data Verified Data
- see 1-phenyl -3-methyl -5-pyrazolinone.
- lined with plastic bags, external use of iron drum packaging, each bag of lokg. Store in a cool, ventilated, dry warehouse to prevent sun, heat, moisture. Light loading and light unloading during handling to prevent package breakage.
Last Update：2022-01-01 10:54:03
4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-benzenesulfonic acid - Reference Information
| LogP | -2.04 at 23℃ and pH7 |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | 1-(4-sulfophenyl)-3-methyl-5-pyrazolone as a reagent, for the identification of sulfonic acids as potent exo -5 '-nucleotidase inhibitors. In vitro -5 '-nucleotidase inhibition is considered an attractive approach for cancer therapy. It is mainly used as an intermediate of dye, pigment and medicine. |
| production method | after diazotization with sulfanilic acid, sodium nitrite and hydrochloric acid, sodium bisulfite and sodium carbonate are used for reduction, P-sulfophenylhydrazine was obtained by hydrolysis with sulfuric acid, condensed with acetoacetamide, cyclized and acid-separated to obtain pyrazolone. |
Last Update：2024-04-09 21:01:54
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