2-Bromo-4-fluoro-5-methylbenzoic acid

2-Bromo-4-fluoro-5-methylbenzoic acid - Names and Identifiers

Name	2-Bromo-4-fluoro-5-methylbenzoic acid
Synonyms	2-BROMO-4-FLUORO-5-METHYLBENZOIC ACID 2-Bromo-4-fluoro-5-methylbenzoic acid Benzoic acid, 2-bromo-4-fluoro-5-methyl-
CAS	1003709-39-4
InChI	InChI=1S/C8H6BrFO2/c1-4-2-5(8(11)12)6(9)3-7(4)10/h2-3H,1H3,(H,11,12)

2-Bromo-4-fluoro-5-methylbenzoic acid - Physico-chemical Properties

Molecular Formula	C8H6BrFO2
Molar Mass	233.03
Density	1.680±0.06 g/cm3(Predicted)
Boling Point	309.0±42.0 °C(Predicted)
pKa	2.86±0.10(Predicted)
Storage Condition	Sealed in dry,Room Temperature

2-Bromo-4-fluoro-5-methylbenzoic acid - Introduction

2-Bromo-4-fluoro-5-methylbenzoic acid (acid) is an organic compound with a chemical formula of C8H6BrFO2 and a molecular weight of 227.04g/mol.

Its properties are as follows:
-Appearance: Colorless to light yellow solid;
-Melting point: 102-104 degrees Celsius;
-Boiling point: 310 degrees Celsius (forecast data);
-Solubility: Soluble in organic solvents such as methanol, dichloromethane, etc.

2-Bromo-4-fluoro-5-methylbenzoic acid is commonly used in the synthesis of drugs and pesticides. It can be used as an important intermediate for the synthesis of a variety of fluorinated and halogenated organic compounds. In the field of medicine, the compound can be used to synthesize compounds with biological activity, such as anticancer drugs, antibacterial drugs, etc.

The preparation of 2-bromo-4-fluoro-5-methylbenzoic acid can generally be carried out by the following steps:
1. using p-toluene as the starting material;
2. 2-chloro-4-methylbenzoic acid was prepared by p-toluene substitution reaction;
3. 2-chloro-4-methylbenzoic acid reacts with bromomethylene and tetrabutylfluoroborate to generate 2-bromo-4-methylbenzoic acid;
4. Reacting with boron tetrafluoride and hydrofluoric acid to replace a hydrogen atom on a methyl group with a fluorine atom.

Regarding safety information, 2-bromo-4-fluoro-5-methylbenzoic acid should be used and stored with the following attention:
-The compound is irritating to the eyes and skin, and should be rinsed with plenty of water immediately after contact;
-During operation, adequate ventilation should be provided to avoid inhalation;
-Wear appropriate protective gloves and goggles;
-Avoid mixing with oxidants and reducing agents to avoid danger;
-During storage, it should be stored in a closed container, away from fire and high temperature.

Please note that when using and handling chemicals, it is important to follow relevant safety procedures and personal protective measures, as well as scientific laboratory safety standards.

Last Update：2024-04-09 19:05:44