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1-(4'-Sulfophenyl)-3-carboxy-5-pyrazolone
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Name

1-(4'-Sulfophenyl)-3-carboxy-5-pyrazolone

 EINECS 204-254-5
CAS No. 118-47-8 Density 1.75 g/cm3
PSA 132.72000 LogP 0.69200
Solubility 272.6mg/L Melting Point 260-270
Formula C10H8N2O6S Boiling Point 536.5℃[at 101 325 Pa]
Molecular Weight 284.249 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 118-47-8 (1-(4'-Sulfophenyl)-3-carboxy-5-pyrazolone) Hazard Symbols Xi
Synonyms

2-Pyrazoline-3-carboxylicacid, 5-oxo-1-(p-sulfophenyl)- (6CI,7CI,8CI);1-(4-Sulfophenyl)-3-carboxy-5-pyrazolone;1-(4-Sulfophenyl)-5-pyrazolone-3-carboxylic acid;1-(4'-Sulfophenyl)-3-carboxy-5-pyrazolone;1-(4'-Sulfophenyl)-3-carboxypyrazolone-5;1-(4'-Sulfophenyl)pyrazol-5-one-3-carboxylic acid;1-(p-Sulfophenyl)-5-pyrazolone-3-carboxylic acid;1-Phenyl-4'-sulfo-5-pyrazolone-3-carboxylic acid;3-Carboxy-1-(4-sulfophenyl)-5-pyrazolone;3-Carboxy-1-(p-sulfophenyl)-5-pyrazolone;5-Oxo-1-(p-sulfophenyl)-2-pyrazoline-3-carboxylic acid;NSC 50665;NSC 51118;PyT;Pyrazolone T;

 

1-(4'-Sulfophenyl)-3-carboxy-5-pyrazolone Synthetic route

117-61-3

4,4'-diamino-2,2'-biphenyldisulfonic acid

118-47-8

5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid

C32H16N8O18S4(6-)*6Na(1+)

Conditions
ConditionsYield
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%
32432-55-6

3,5-diamino-2,4,6-trimethylbenzene-1-sulfonic acid

118-47-8

5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid

C29H19N8O15S3(5-)*5Na(1+)

Conditions
ConditionsYield
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%
697756-74-4

C26H25N5O15S3

118-47-8

5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid

C36H30N8O21S4

Conditions
ConditionsYield
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%
118-47-8

5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid

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
ConditionsYield
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;
1375454-29-7

C24H20N6O12S4

118-47-8

5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid

C44H30N12O24S6

Conditions
ConditionsYield
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;

1-(4'-Sulfophenyl)-3-carboxy-5-pyrazolone Chemical Properties

IUPAC Name: 5-Oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
Systematic of 1H-Pyrazole-3-carboxylicacid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)- (CAS NO.118-47-8): 4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid ; BRN 0689305 ; EINECS 204-254-5 ; NSC 50665 ; PYT ; Pyrazolone T ; 2-Pyrazoline-3-carboxylic acid, 5-oxo-1-(p-sulfophenyl)- (6CI,7CI,8CI) ; 5-Oxo-1-(4-sulphophenyl)-2-pyrazoline-3-carboxylic acid
CAS NO: 118-47-8
Molecular Formula of 1H-Pyrazole-3-carboxylicacid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)- (CAS NO.118-47-8): C10H8N2O6S
Molecular Weight: 284.2453
Molecular Structure:

H bond acceptors: 8
H bond donors: 2
Freely Rotating Bonds: 3
Polar Surface Area: 110.72 Å2
Index of Refraction: 1.718
Molar Refractivity: 63.7 cm3
Molar Volume: 161.5 cm3
Surface Tension: 83.5 dyne/cm
Density of 1H-Pyrazole-3-carboxylicacid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)- (CAS NO.118-47-8): 1.75 g/cm3

1-(4'-Sulfophenyl)-3-carboxy-5-pyrazolone Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 22gm/kg (22000mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(12), Pg. 56, 1984.
rat LD oral > 22gm/kg (22000mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(12), Pg. 56, 1984.

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