81682-38-4

Basic information

• Product Name: 2-Bromo-5-chlorophenylacetic acid
• Synonyms: 2-BROMO-5-CHLOROPHENYLACETIC ACID;Fs011376;2-Bromo-5-chlorophenylacetic acidSEE B2582-D;2-(2-broMo-5-chlorophenyl)acetic acid;(2-Bromo-5-chlorophenyl)acetic acid, 2-(2-Bromo-5-chlorophenyl)ethanoic acid
• CAS NO: 81682-38-4
• Molecular Formula: C8H6BrClO2
• Molecular Weight: 249.49
• Mol File: 81682-38-4.mol
• Article Data: 1

Chemical Properties

• Melting Point: 101-103°C
• Boiling Point: 345.6 °C at 760 mmHg
• Flash Point: 162.8 °C
• Appearance: /
• Density: 1.72 g/cm³
• Vapor Pressure: 2.32E-05mmHg at 25°C
• Refractive Index: 1.605
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.87±0.10(Predicted)
• CAS DataBase Reference: 2-Bromo-5-chlorophenylacetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Bromo-5-chlorophenylacetic acid(81682-38-4)
• EPA Substance Registry System: 2-Bromo-5-chlorophenylacetic acid(81682-38-4)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22
• HazardClass: IRRITANT
• Hazardous Substances Data: 81682-38-4(Hazardous Substances Data)

Usage

General Description

2-Bromo-5-chlorophenylacetic acid is a chemical compound with the molecular formula C8H6BrClO2. It is a white crystalline solid and is classified as an aromatic carboxylic acid. 2-Bromo-5-chlorophenylacetic acid is used in the pharmaceutical industry as an intermediate for the synthesis of various active pharmaceutical ingredients. It has also been studied for its potential biological activities, including anti-inflammatory and anti-microbial properties. Additionally, it can be used as a building block for the synthesis of complex organic molecules in the field of organic chemistry. Overall, 2-Bromo-5-chlorophenylacetic acid is a versatile chemical compound with potential applications in various industries.

InChI:InChI=1/C8H6BrClO2/c9-7-2-1-6(10)3-5(7)4-8(11)12/h1-3H,4H2,(H,11,12)

Upstream product

• 42860-16-2 2-bromo-5-chlorobenzoyl chloride 
• 21739-93-5 2-bromo-5-chlorobenzoic acid 

Downstream Products

• 1609551-43-0 2-(2-bromo-5-chlorophenyl)-N-(pyridin-2-yl)acetamide 
• 1609551-46-3 2-(2-bromo-5-chlorophenyl)-N-(3-methylpyridin-2-yl)acetamide 
• 1147887-18-0 1-bromo-4-chloro-2-(2-methoxyethyl)benzene 
• 1611444-66-6 4-(2-bromo-5-chlorophenethyl)morpholine 
• 1611444-67-7 2-bromo-5-chlorophenethyl methanesulfonate 

Relevant articles and documents

Phosphodiesters as GPR84 Antagonists for the Treatment of Ulcerative Colitis

GPR84 is a proinflammatory G protein-coupled receptor associated with several inflammatory and fibrotic diseases. GPR84 antagonists have been evaluated in clinical trials to treat ulcerative colitis, idiopathic pulmonary fibrosis, and nonalcoholic steatohepatitis. However, the variety of potent and selective GPR84 antagonists is still limited. Through high-throughput screening, a novel phosphodiester compound hit 1 was identified as a GPR84 antagonist. The subsequent structural optimization led to the identification of compound 33 with improved potency in the calcium mobilization assay and the ability to inhibit the chemotaxis of neutrophils and macrophages upon GPR84 activation. In a DSS-induced mouse model of ulcerative colitis, compound 33 significantly alleviated colitis symptoms and reduced the disease activity index score at oral doses of 25 mg/kg qd, with an efficacy similar to that of positive control 5-aminosalicylic acid (200 mg/kg, qd, po), suggesting that compound 33 is a promising candidate for further drug development.