65971-76-8

Basic information

• Product Name: 2-BROMO-3-CHLORO-6-AMINO BENZOIC ACID
• Synonyms: 2-BROMO-3-CHLORO-6-AMINO BENZOIC ACID;6-AMino-2-broMo-3-chlorobenzoic acid
• CAS NO: 65971-76-8
• Molecular Formula: C₇H₅BrClNO₂
• Molecular Weight: 250.48
• Mol File: 65971-76-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 382.404 °C at 760 mmHg
• Flash Point: 185.071 °C
• Appearance: /
• Density: 1.892 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.68
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 0.48±0.10(Predicted)
• CAS DataBase Reference: 2-BROMO-3-CHLORO-6-AMINO BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMO-3-CHLORO-6-AMINO BENZOIC ACID(65971-76-8)
• EPA Substance Registry System: 2-BROMO-3-CHLORO-6-AMINO BENZOIC ACID(65971-76-8)

Safety Data

• Hazardous Substances Data: 65971-76-8(Hazardous Substances Data)

Usage

General Description

2-Bromo-3-chloro-6-amino benzoic acid, also known as 3-Bromo-2-chloro-6-aminobenzoic acid, is a chemical compound with a molecular formula C7H5BrClNO2. It is a derivative of benzoic acid and contains bromine, chlorine, and an amino group. 2-BROMO-3-CHLORO-6-AMINO BENZOIC ACID has been studied for its potential use in the synthesis of pharmaceuticals and agrochemicals due to its unique structure and properties. It is important to handle this compound with care, as it may be irritating to the skin and eyes and harmful if ingested or inhaled.

InChI:InChI=1/C7H5BrClNO2/c8-6-3(9)1-2-4(10)5(6)7(11)12/h1-2H,10H2,(H,11,12)

Upstream product

• 20780-72-7 4-bromoisatin 
• 823-54-1 3-bromo-4-chloroaniline 
• 65971-75-7 4-bromo-5-chloroindoline-2,3-dione 

Downstream Products

• 147150-14-9 6-Amino-2-bromo-3-chloro-benzoic acid methyl ester 

Relevant articles and documents

FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS

The present disclosure provides fused 1,4-oxazepines and related analogs represented by Formula (I) and the pharmaceutically acceptable salts, hydrates, and solvates thereof, wherein R1, R2a, R2b, R3a, R3b, R4, R5, A, and Y are as defined as set forth in the specification. The present disclosure is also directed to the use of compounds of Formula (I) to treat a condition or disorder responsive to inhibition of BET bromodomains such as cancer.

Design of thymidylate synthase inhibitors using protein crystal structures: The synthesis and biological evaluation of a novel class of 5- substituted quinazolinones

The design, synthesis, and biological evaluation of a new class of inhibitors of thymidylate synthase (TS) is described. The molecular design was carried out by a repetitive crystallographic analysis of protein-ligand structures. At the onset of this project, we focused on the folate cofactor binding site of a high-resolution ternary crystal complex of Escherichia coli TS, 5'-fluorodeoxyuridylate (5-FdUMP) and a classical glutamate-containing folic acid analog. A preliminary ternary crystal structure of a novel compound was successfully solved. Upon analysis of this initial complex, further structural elaborations were made, and a series of active 5- (arylthio)quinazolinones was developed. The synthetic strategy was based on the displacement of a halogen at the 5-position of a quinazolinone by various arylthioanions. The compounds were tested for inhibition of purified E. coli and/or human TS, and were assayed for cytotoxicity against three tumor cell lines in vitro. Significant thymidine protection effects were observed with several of the inhibitors, indicating that TS was the intracellular locus of activity.