CAS 1031927-03-3

Benzoic acid, 2-bromo-5-cyano-, methyl ester

Description:

Benzoic acid, 2-bromo-5-cyano-, methyl ester, identified by the CAS number 1031927-03-3, is an organic compound characterized by its functional groups and structural features. It contains a benzoic acid moiety with a bromine atom and a cyano group positioned at the 2 and 5 positions, respectively, on the aromatic ring, along with a methyl ester group. This compound is typically a white to off-white solid and is soluble in organic solvents, reflecting its polar and non-polar characteristics due to the presence of both the ester and cyano groups. The bromine substituent can influence its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions and coupling reactions. Additionally, the cyano group can enhance the compound's utility in synthetic organic chemistry, particularly in the formation of more complex molecules. Overall, this compound's unique structure contributes to its potential applications in pharmaceuticals, agrochemicals, and materials science.

Formula: C₉H₆BrNO₂

InChI: InChI=1S/C9H6BrNO2/c1-13-9(12)7-4-6(5-11)2-3-8(7)10/h2-4H,1H3

InChI key: InChIKey=SILKGSBMCDUFGF-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=CC(C#N)=CC=C1Br

Synonyms:

• Benzoic acid, 2-bromo-5-cyano-, methyl ester
• Methyl 2-bromo-5-cyanobenzoate

Methyl 2-bromo-5-cyanobenzoate

CAS: 1031927-03-3

Formula: C₉H₆BrNO₂

Purity: 95%

Color and Shape: Solid

Molecular weight: 240.0534

Ref: IN-DA007HXA

Methyl 2-bromo-5-cyanobenzoate

CAS: 1031927-03-3

Methyl 2-bromo-5-cyanobenzoate

Formula: C₉H₆BrNO₂

Purity: ≥95%

Color and Shape: yellow powder

Molecular weight: 240.05g/mol

Ref: 54-OR12768

Methyl 2-bromo-5-cyanobenzoate

CAS: 1031927-03-3

Formula: C₉H₆BrNO₂

Purity: 95%

Color and Shape: Solid

Molecular weight: 240.056

Ref: 10-F069374