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CAS No.: | 118-47-8 |
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Name: | 1-(4'-Sulfophenyl)-3-carboxy-5-pyrazolone |
Molecular Structure: | |
Formula: | C10H8N2O6S |
Molecular Weight: | 284.249 |
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; |
EINECS: | 204-254-5 |
Density: | 1.75 g/cm3 |
Melting Point: | 260-270 |
Boiling Point: | 536.5℃[at 101 325 Pa] |
Solubility: | 272.6mg/L |
Hazard Symbols: | Xi |
PSA: | 132.72000 |
LogP: | 0.69200 |
4,4'-diamino-2,2'-biphenyldisulfonic acid
5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
Conditions | Yield |
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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
5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
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
5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
Conditions | Yield |
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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
Conditions | Yield |
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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
5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
Conditions | Yield |
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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; |
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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
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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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. |