CAS 96107-94-7

1H-Tetrazole-5-carboxylic acid ethyl ester sodium salt

Description:

1H-Tetrazole-5-carboxylic acid ethyl ester sodium salt, with the CAS number 96107-94-7, is a chemical compound that belongs to the tetrazole family, characterized by a five-membered ring containing four nitrogen atoms and one carbon atom. This compound is typically a white to off-white solid and is soluble in water due to the presence of the sodium salt, which enhances its ionic character. It exhibits acidic properties due to the carboxylic acid functional group, allowing it to participate in various chemical reactions, including esterification and amidation. The tetrazole ring contributes to its stability and potential applications in pharmaceuticals, agrochemicals, and as a building block in organic synthesis. Additionally, the compound may exhibit biological activity, making it of interest in medicinal chemistry. Its sodium salt form enhances its solubility and bioavailability, which is advantageous for various applications. Overall, 1H-Tetrazole-5-carboxylic acid ethyl ester sodium salt is a versatile compound with significant utility in chemical research and development.

Formula: C₄H₅N₄O₂

InChI: InChI=1/C4H6N4O2/c1-2-10-4(9)3-5-7-8-6-3/h9H,2H2,1H3/p-1

SMILES: CCOC(=C1N=NN=N1)[O-]

Synonyms:

• Tetrazolecarboxylicacidethylestersodiumsalt
• ethoxy(5H-tetrazol-5-ylidene)methanolate

1H-Tetrazole-5-carboxylic acid, ethyl ester, sodium sal

CAS: 96107-94-7

Formula: C₄H₆N₄NaO₂

Purity: 95%

Color and Shape: Solid

Molecular weight: 165.1058

Ref: IN-DA003EF0

1H-Tetrazole-5-carboxylic acid ethyl ester sodium

CAS: 96107-94-7

1H-Tetrazole-5-carboxylic acid ethyl ester sodium salt (1HTE) is an organic compound that has been used as a ligand in asymmetric synthesis. It has a reversibly magnetic property, which arises from its ability to form complexes with various metal ions. 1HTE can be obtained as a dihydrate or anhydrous salt. It is soluble in organic solvents and crystallizes with the trimorphic system of space group P3(1). The crystals are colorless and have a density of 1.11 g/cm3. Crystals x-ray diffraction studies show that the crystal lattice contains hydrogen bonds and the molecule is stabilized by hydrophobic interactions. Hydrothermal synthesis conditions lead to 1HTE's transformation into the solvate state, which differs from the anhydrous form by containing water molecules in its crystal lattice. The magnetic properties of 1HTE arise from unpaired

Formula: C₄H₅N₄O₂•Na

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 164.1 g/mol

Ref: 3D-FT10768