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

Basic Information

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CAS Number

118-47-8

Molecular Formula

C10H8N2O6S

Molecular Weight

284.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

°Cat760mmHg

Density

1.75

Refractive Index

1.718

SMILES

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C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/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)

InChIKey

TYCNXOAPQGVAQU-UHFFFAOYSA-N

LogP

0.11060000000000014

Topological Polar Surface Area

124.33999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

527

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

NSC51118
CS-0196541
PYT
1H-pyrazole-4,5-dicarboxylic acid;5-Oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
EINECS 204-254-5
CAS-118-47-8
1-(4`-Sulfophenyl)-3-carboxy-5-pyrazolone
5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylicacid
NCGC00255597-01
1-(4'-SULFOPHENYL)-3-CARBOXY-5-PYRAZOLONE
NSC50665
SR-01000318515-1
FT-0623489
CBDivE_003373
118-47-8
1-(4/'-Sulfophenyl)-3-carboxy-5-pyrazolone
H10314
SR-01000318515
DTXCID3021273
4,5-dihydro-5-oxo-1-(4'-sulphophenyl)-1h-pyrazole-3-carboxylic acid
AKOS000546816
1H-Pyrazole-3-carboxylic acid,5-dihydro-5-oxo-1-(4-sulfophenyl)-
DTXSID5041273
NSC 50665
5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
Pyrazolone T
2-Pyrazoline-3-carboxylic acid, 5-oxo-1-(p-sulfophenyl)-
A803940
NS00021546
5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
SCHEMBL1715679

MDL Number

MFCD00020755

Customs Code

2933199090

FAQ

What is 5-Oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid (CAS: 118-47-8)?

5-Oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid (CAS 118-47-8) is a heterocyclic organic compound. It is a derivative of pyrazole and contains a carboxylic acid group, which makes it an important intermediate in the synthesis of pharmaceuticals and other chemicals. It exhibits acidic properties due to the carboxylic acid functionality.

What are the main uses of 5-Oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid (CAS: 118-47-8)?

5-Oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid (CAS 118-47-8) is primarily used in the synthesis of various pharmaceuticals and chemical intermediates. It serves as a building block for the development of drugs and is also utilized in the manufacturing of dyes and other industrial products.

Is 5-Oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid (CAS: 118-47-8) safe?

5-Oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid (CAS 118-47-8) is generally safe when handled with appropriate precautions. However, it should be stored in a cool, dry place away from direct sunlight and should be kept away from heat and sources of ignition. Protective equipment such as gloves and goggles should be worn when handling the compound.

How should 5-Oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid (CAS: 118-47-8) be stored?

5-Oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid (CAS 118-47-8) should be stored in a sealed container, preferably in a cool, dry place to minimize exposure to moisture and extreme temperatures. It should be kept away from direct sunlight and heat sources. The storage container should be airtight to prevent moisture absorption and ensure the compound's stability.