CAS 329-59-9

Methyl 4-fluoro-3-nitrobenzoate

Description:

Methyl 4-fluoro-3-nitrobenzoate, with the CAS number 329-59-9, is an organic compound that belongs to the class of benzoate esters. It features a methyl ester functional group attached to a benzoic acid derivative, which is further substituted with a fluoro group at the para position and a nitro group at the meta position relative to the ester. This compound is typically a yellow to orange solid at room temperature and is known for its aromatic properties. It is soluble in organic solvents such as ethanol and acetone but has limited solubility in water due to its hydrophobic aromatic structure. Methyl 4-fluoro-3-nitrobenzoate is often used in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. Its reactivity is influenced by the electron-withdrawing nature of the nitro and fluoro substituents, which can affect its electrophilic aromatic substitution reactions. Safety precautions should be taken when handling this compound, as it may pose health risks if ingested or inhaled.

Formula: C₈H₆FNO₄

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

InChI key: InChIKey=CNJJSTPBUHAEFH-UHFFFAOYSA-N

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

Synonyms:

• 3-Nitro-4-fluorobenzoic acid methyl ester
• 4-Fluoro-3-nitrobenzoic acid methyl ester
• Benzoic acid, 4-fluoro-3-nitro-, methyl ester
• Methyl 4-fluoro-3-nitrobenzoate

Methyl 4-Fluoro-3-nitrobenzoate

CAS: 329-59-9

Formula: C₈H₆FNO₄

Purity: >98.0%(GC)

Color and Shape: White to Yellow to Green powder to crystal

Molecular weight: 199.14

Ref: 3B-M2535

Methyl 4-fluoro-3-nitrobenzoate, 98%

CAS: 329-59-9

Methyl 4-fluoro-3-nitrobenzoate is used to prepare dimethyl 3-nitro-3',4-oxydibenzoate by reacting with 3-hydroxy-benzoic acid methyl ester. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to

Formula: C₈H₆FNO₄

Purity: 98%

Color and Shape: White to yellow, Powder or crystalline powder

Molecular weight: 199.14

Ref: 02-H61542

Methyl 4-fluoro-3-nitrobenzoate

CAS: 329-59-9

Formula: C₈H₆FNO₄

Purity: 98%

Color and Shape: Solid

Molecular weight: 199.1359

Ref: IN-DA003RV9

Methyl 4-fluoro-3-nitrobenzoate

CAS: 329-59-9

Methyl 4-fluoro-3-nitrobenzoate

Formula: C₈H₆FNO₄

Purity: 98%

Color and Shape: faint orange crystalline solid

Molecular weight: 199.14g/mol

Ref: 54-PC4359

Methyl 4-Fluoro-3-nitrobenzoate

CAS: 329-59-9

Formula: C₈H₆FNO₄

Purity: 95%

Color and Shape: Solid

Molecular weight: 199.137

Ref: 10-F075023