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Sodium 5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylate

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Name

Sodium 5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylate

EINECS 257-677-2
CAS No. 52126-51-9 Density N/A
PSA 140.67000 LogP 0.84870
Solubility N/A Melting Point N/A
Formula C10H7N2NaO6 Boiling Point N/A
Molecular Weight 306.23 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 52126-51-9 (Sodium 5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylate) Hazard Symbols N/A
Synonyms

1H-Pyrazole-3-carboxylicacid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, monosodium salt (9CI);Sodium1-(4-sulfophenyl)-5-pyrazolone-3-carboxylate;

 

Sodium 5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylate Specification

The IUPAC name of Sodium 5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylate is sodium 5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylate. With the CAS registry number 52126-51-9, it is also named as 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, monosodium salt. The product's other registry number is 857183-45-0. In addition, its molecular formula is C10H7N2NaO6S and its molecular weight is 306.23.

The other characteristics of Sodium 5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylate can be summarized as: (1)H-Bond Donor: 1; (2)H-Bond Acceptor: 7; (3)Rotatable Bond Count: 3; (4)Tautomer Count: 3; (5)Exact Mass: 305.992251; (6)MonoIsotopic Mass: 305.992251; (7)Topological Polar Surface Area: 136; (8)Heavy Atom Count: 20; (9)Complexity: 532; (10)EINECS: 257-677-2.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:[Na+].[O-]S(=O)(=O)c1ccc(cc1)N2N=C(CC2=O)C([O-])=O
(2)InChI:InChI=1/C10H8N2O6S.Na/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);/q;+1/p-2
(3)InChIKey:KFVXGVBBXSOYNO-NUQVWONBAH
(4)Std. InChI:InChI=1S/C10H8N2O6S.Na/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);/q;+1/p-2
(5)Std. InChIKey:KFVXGVBBXSOYNO-UHFFFAOYSA-L

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