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4-Bromo-m-toluic acid (COOH=1)(CAS#7697-28-1)

Chemical Property:

Molecular Formula C8H7BrO2
Molar Mass 215.04
Density 1.599±0.06 g/cm3(Predicted)
Melting Point 212-216°C(lit.)
Boling Point 311.4±30.0 °C(Predicted)
Flash Point 142.1°C
Vapor Presure 0.000243mmHg at 25°C
Appearance Crystalline powder
Color Yellow to orange to tan
BRN 2356649
pKa 4.04±0.10(Predicted)
Storage Condition Sealed in dry,Room Temperature
MDL MFCD00039526

Product Detail

Product Tags

Hazard Symbols Xi - Irritant
Risk Codes 36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36 - Wear suitable protective clothing.
S37 - Wear suitable gloves.
WGK Germany 3
HS Code 29163990
Hazard Class IRRITANT

 

Introduction

4-Bromo-m-toluic acid (COOH = 1) is an organic compound with the chemical formula C8H7BrO2. The following is a description of some of the properties, uses, preparation and safety information of the compound:

 

Nature:

-Appearance: White crystalline solid

-melting point: 140-141 ℃

-Boiling point: 313 ℃

-Soluble: Slightly soluble in water, easily soluble in organic solvents such as ethanol and dichloromethane

 

Use:

- 4-Bromo-m-toluic acid (COOH = 1) is an important organic synthesis intermediate, commonly used in the synthesis of drugs, pesticides and dyes and other compounds

-It can also be used as a catalyst for organic synthesis reactions or a raw material for catalysts

 

Preparation Method:

-It can be obtained by bromination of benzoic acid. A common method is to react benzoic acid with bromine in acetic acid and then hydrolyze with water to obtain 4-Bromo-m-toluic acid (COOH = 1).

 

Safety Information:

- 4-Bromo-m-toluic acid (COOH = 1) is irritating to the human body, so you should pay attention to protective measures when using and handling, such as wearing protective gloves, masks and goggles, etc.

-It is also a combustible material, need to keep away from open flame and high temperature

-Use should be placed in a well-ventilated place to avoid poisoning caused by inhalation of its vapor

-When disposing of waste, follow local waste disposal regulations to ensure environmental safety

Application
4-Bromo-3-methylbenzoic acid (4-Bromo-m-toluic acid, CAS 7697-28-1) is a privileged, brominated benzoic acid building block widely used in drug discovery and agrochemical R&D. Its carboxylic acid functionality enables amide bond formation while the bromine handle facilitates palladium-catalyzed cross-coupling reactions (Suzuki-Miyaura, Buchwald-Hartwig) and nucleophilic aromatic substitution for rapid library expansion. This intermediate is a key precursor in the synthesis of non‑steroidal anti‑inflammatory drugs (NSAIDs), analgesic APIs, antimicrobial agents, and selective COX‑2 inhibitors. It is also employed to prepare GABA‑A receptor modulators for CNS drug discovery. In agrochemical research, this scaffold supports the development of herbicides, fungicides, and insecticides with enhanced crop protection profiles. Its high purity ensures reproducible results in high‑throughput screening, structure‑activity relationship (SAR) studies, impurity profiling, and method validation for ANDA filings. Xinchem offers reliable custom synthesis, custom chemical synthesis, and contract manufacturing of this essential building block with flexible scaling from R&D to commercial tons. Contact us today for a competitive quote and reliable global supply.


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