118-47-8

Basic information

• Product Name: 1-(4'-Sulfophenyl)-3-carboxy-5-pyrazolone
• Synonyms: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-;5-Oxo-1-(4-sulfophenyl)-2-pyrazolin-3-carbonsure;3-Carboxy-1-(4-sulfophenyl)-2-pyrazolin-5-one;1-(4-Sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid;5-Hydroxy-1-[4-(sodiosulfo)phenyl]-1H-pyrazole-3-carboxylic acid sodium salt;5-keto-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid;5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid;ANTI-MOUSE EPHA1 (CENTER) antibody produced in rabbit
• CAS NO: 118-47-8
• Molecular Formula: C₁₀H₈N₂O₆S
• Molecular Weight: 284.25
• EINECS: 204-254-5
• Product Categories: Intermediates of Dyes and Pigments
• Mol File: 118-47-8.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 536.5℃[at 101 325 Pa]
• Appearance: /
• Density: 1.75 g/cm³
• Refractive Index: 1.718
• Storage Temp.: -20°C
• PKA: -2.65±0.20(Predicted)
• Water Solubility: 272.6mg/L
• CAS DataBase Reference: 1-(4'-Sulfophenyl)-3-carboxy-5-pyrazolone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4'-Sulfophenyl)-3-carboxy-5-pyrazolone(118-47-8)
• EPA Substance Registry System: 1-(4'-Sulfophenyl)-3-carboxy-5-pyrazolone(118-47-8)

Safety Data

• Hazardous Substances Data: 118-47-8(Hazardous Substances Data)

Usage

Chemical Properties

Light yellow crystalline powder

InChI:InChI=1/C10H8N2O6S/c13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18/h1-4H,5H2,(H,14,15)(H,16,17,18)

Synthetic route

4,4'-diamino-2,2'-biphenyldisulfonic acid (117-61-3) + 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid (118-47-8) → C32H16N8O18S4(6-)*6Na(1+)

Conditions	Yield
Stage #1: 4,4'-diamino-2,2'-biphenyldisulfonic acid With hydrogenchloride; sodium nitrite In water at 5℃; for 0.583333h; Stage #2: 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid With sodium acetate In ethyl acetate; N,N-dimethyl-formamide at 5℃; for 1h;	70%

3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid (32432-55-6) + 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid (118-47-8) → C29H19N8O15S3(5-)*5Na(1+)

Conditions	Yield
Stage #1: 3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid With hydrogenchloride; sodium nitrite In water at 5℃; for 0.583333h; Stage #2: 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid With sodium acetate In ethyl acetate; N,N-dimethyl-formamide at 5℃; for 1h;	69%

C26H25N5O15S3 (697756-74-4) + 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid (118-47-8) → C36H30N8O21S4

Conditions	Yield
Stage #1: C26H25N5O15S3 With hydrogenchloride; aminosulfonic acid; sodium nitrite In water at 0 - 10℃; for 1h; pH=9; Stage #2: 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid In water at 0 - 10℃; pH=7;	68.8%

5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid (118-47-8) → 4-[(5-hydroxy-7-sulfo-2-naphthyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid lithium and sodium salt

Conditions	Yield
Stage #1: 7-amino-4-hydroxy-2-naphthalenesulfonic acid With lithium hydroxide; sodium nitrate In water pH=7 - 8; Stage #2: With hydrogenchloride In water at 0 - 10℃; for 1h; pH=1; Stage #3: 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid With pyridine; lithium hydroxide In water at 0 - 10℃; for 0.333333h; pH=5;

C24H20N6O12S4 (1375454-29-7) + 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid (118-47-8) → C44H30N12O24S6

Conditions	Yield
Stage #1: C24H20N6O12S4 With hydrogenchloride; sodium nitrite In water at 5 - 15℃; for 2.08333h; Stage #2: 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid With sodium carbonate In water at 15 - 20℃; for 2.41667h; pH=6.5 - 8.8; Stage #3: With potassium chloride; sodium chloride In water for 0.5h;