3-Bromo-isoxazole-5-carboxylic acid

• CAS: 6567-35-7
• Catalog Number: ACM6567357
• Category: Bromine Series
• Molecular Weight: 191.97
• Molecular Formula: C₄H₂NO₃Br
• Synonyms: 3-BROMOISOXAZOLE-5-CARBOXYLIC ACID;3-BROMOISOXAZOLE-5-CARBOXYLIC ACID, 95+%

Custom Q&A

What is the molecular formula of 3-Bromo-isoxazole-5-carboxylic acid?

The molecular formula of 3-Bromo-isoxazole-5-carboxylic acid is C4H2BrNO3.

What is the molecular weight of 3-Bromo-isoxazole-5-carboxylic acid?

The molecular weight of 3-Bromo-isoxazole-5-carboxylic acid is 191.97 g/mol.

What is the IUPAC name of 3-Bromo-isoxazole-5-carboxylic acid?

The IUPAC name of 3-Bromo-isoxazole-5-carboxylic acid is 3-bromo-1,2-oxazole-5-carboxylic acid.

What is the InChI of 3-Bromo-isoxazole-5-carboxylic acid?

The InChI of 3-Bromo-isoxazole-5-carboxylic acid is InChI=1S/C4H2BrNO3/c5-3-1-2(4(7)8)9-6-3/h1H,(H,7,8).

What is the InChIKey of 3-Bromo-isoxazole-5-carboxylic acid?

The InChIKey of 3-Bromo-isoxazole-5-carboxylic acid is YNIMFLBFJCGBQK-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Bromo-isoxazole-5-carboxylic acid?

The canonical SMILES of 3-Bromo-isoxazole-5-carboxylic acid is C1=C(ON=C1Br)C(=O)O.

What is the CAS number of 3-Bromo-isoxazole-5-carboxylic acid?

The CAS number of 3-Bromo-isoxazole-5-carboxylic acid is 6567-35-7.

What is the European Community (EC) number of 3-Bromo-isoxazole-5-carboxylic acid?

The European Community (EC) number of 3-Bromo-isoxazole-5-carboxylic acid is 813-627-7.

What is the DSSTox Substance ID of 3-Bromo-isoxazole-5-carboxylic acid?

The DSSTox Substance ID of 3-Bromo-isoxazole-5-carboxylic acid is DTXSID80316494.

What is the XLogP3-AA value of 3-Bromo-isoxazole-5-carboxylic acid?

The XLogP3-AA value of 3-Bromo-isoxazole-5-carboxylic acid is 1.3.

Synthetic Use

Upstream Synthesis Route 1

• 105174-97-8

• 6567-35-7

Reference: [1] Patent: US4772719, 1988, A,

Upstream Synthesis Route 2

• 1392517-50-8

• 6567-35-7

Reference: [1] Patent: US2012/202856, 2012, A1, . Location in patent: Page/Page column 44

Upstream Synthesis Route 3

• 25742-00-1

• 6567-35-7

Reference: [1] Patent: US5284957, 1994, A,

Downstream Synthesis Route 1

• 763025-08-7
• 6567-35-7

• 58603-89-7

Reference: [1]Journal of Medicinal Chemistry,1976,vol. 19,p. 695 - 709

Downstream Synthesis Route 2

• 67-56-1
• 6567-35-7

• 13626-59-0

Reference: [1]Helvetica Chimica Acta,1967,vol. 50,p. 137 - 142
[2]Journal of Medicinal Chemistry,1996,vol. 39,p. 2232 - 2244

Downstream Synthesis Route 3

• 6567-35-7
• 100-51-6

• 2552-54-7

Reference: [1]Tetrahedron Letters,1965,p. 2081 - 2084

* For details of the synthesis route, please refer to the original source to ensure accuracy.