CAS 185629-31-6

Benzoic acid, 3-fluoro-4-nitro-, methyl ester

Description:

Benzoic acid, 3-fluoro-4-nitro-, methyl ester, identified by CAS number 185629-31-6, is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety modified with both a fluoro and a nitro group. The presence of the methyl ester functional group indicates that it is an ester derivative of benzoic acid, which typically enhances its solubility in organic solvents. The 3-fluoro and 4-nitro substituents introduce significant electronic effects, influencing the compound's reactivity and polarity. Generally, compounds with such substituents can exhibit varied biological activities, making them of interest in pharmaceutical and agrochemical research. The molecular structure suggests potential applications in synthesis and as intermediates in organic chemistry. Additionally, the compound's stability and reactivity can be affected by the presence of these functional groups, which may also influence its interactions with other chemical species. Overall, this compound exemplifies the complexity and utility of substituted benzoic acids in chemical research and applications.

Formula: C₈H₆FNO₄

InChI: InChI=1S/C8H6FNO4/c1-14-8(11)5-2-3-7(10(12)13)6(9)4-5/h2-4H,1H3

InChI key: InChIKey=FKMZNQQOPCCUTD-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=CC(F)=C(N(=O)=O)C=C1

Synonyms:

• 3-Fluoro-4-nitrobenzoic acid methyl ester
• Benzoic acid, 3-fluoro-4-nitro-, methyl ester
• Methyl 3-Fluoro-4-Nitrobenzoate
• Methyl 3-fluoro-4-nitrobenzoate 98%
• Methyl3-fluoro-4-nitrobenzoate98%

Methyl 3-fluoro-4-nitrobenzoate, 97%

CAS: 185629-31-6

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₈H₆FNO₄

Purity: 97%

Molecular weight: 199.14

Ref: 02-H64688

Methyl 3-Fluoro-4-nitrobenzoate

CAS: 185629-31-6

Formula: C₈H₆FNO₄

Purity: 95%

Color and Shape: Solid

Molecular weight: 199.1359

Ref: IN-DA00356V

Methyl 3-fluoro-4-nitrobenzoate

CAS: 185629-31-6

Methyl 3-fluoro-4-nitrobenzoate

Formula: C₈H₆FNO₄

Purity: 98%

Color and Shape: faint yellow crystalline powder

Molecular weight: 199.14g/mol

Ref: 54-PC7249

Methyl 3-fluoro-4-nitrobenzoate

CAS: 185629-31-6

Methyl 3-fluoro-4-nitrobenzoate is a volatile, colorless liquid that belongs to the class of alcohols. Methyl 3-fluoro-4-nitrobenzoate has a phenylethyl group and an intramolecular reaction with the carbonyl group. The regioselectivity of this reaction is determined by the electron density on the oxygen atom, which is greater than on the nitrogen atom. This makes methyl 3-fluoro-4-nitrobenzoate an excellent nucleophile and allows it to react with other molecules in order to form esters. Methyl 3-fluoro-4-nitrobenzoate has been shown to be a good solvent for headspace analysis because it is volatile, but not reactive enough to interfere with organic compounds in the headspace.

Formula: C₈H₆FNO₄

Purity: Min. 95%

Color and Shape: White Powder

Molecular weight: 199.14 g/mol

Ref: 3D-FM105308

Methyl 3-fluoro-4-nitrobenzenecarboxylate

CAS: 185629-31-6

M04159 - Methyl 3-fluoro-4-nitrobenzenecarboxylate

Formula: C₈H₆FNO₄

Purity: 95%

Color and Shape: Solid, White to off-white powder

Molecular weight: 199.137

Ref: 10-M04159