42533-63-1

Basic information

• Product Name: 1-(bromomethyl)-2-chloro-4-nitrobenzene
• Synonyms: 1-(bromomethyl)-2-chloro-4-nitrobenzene
• CAS NO: 42533-63-1
• Molecular Formula: C₇H₅BrClNO₂
• Molecular Weight: 250.4771
• EINECS: 255-874-8
• Mol File: 42533-63-1.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 322.8 °C at 760 mmHg
• Flash Point: 149 °C
• Appearance: /
• Density: 1.755 g/cm³
• Vapor Pressure: 0.000515mmHg at 25°C
• Refractive Index: 1.623
• CAS DataBase Reference: 1-(bromomethyl)-2-chloro-4-nitrobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(bromomethyl)-2-chloro-4-nitrobenzene(42533-63-1)
• EPA Substance Registry System: 1-(bromomethyl)-2-chloro-4-nitrobenzene(42533-63-1)

Safety Data

• Hazardous Substances Data: 42533-63-1(Hazardous Substances Data)

Usage

General Description

1-(bromomethyl)-2-chloro-4-nitrobenzene is a chemical compound with the molecular formula C7H6ClBrNO2. It is an aromatic compound that contains a benzene ring with a nitro group and a chlorine atom, as well as a bromomethyl group attached to the benzene ring. 1-(bromomethyl)-2-chloro-4-nitrobenzene is used in organic synthesis and has applications in the pharmaceutical and agrochemical industries. It is considered to be a hazardous chemical and should be handled with care due to its potential health and environmental risks.

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

Upstream product

• 121-86-8 2-chloro-4-nitrotoluene 
• 7726-95-6 bromine 
• 32316-92-0 naphthalene-2-boronic acid 
• 52301-88-9 (2-chloro-4-nitrophenyl)methanol 

Downstream Products

• 5568-33-2 2-chloro-4-nitrobenzaldehyde 
• 93089-07-7 2-Chlor-4-amino-benzyl-acetylamino-malonester 
• 96166-91-5 2-Chlor-4-di-(2-chlor-ethyl)-amino-benzyl-acetylamino-malonester 
• 94867-72-8 2-Chlor-4-di-(2-hydroxy-ethyl)-amino-benzyl-acetylamino-malonester 
• 10444-42-5 2-Chlor-4-di-(2-chlor-aethyl)-amino-dl-phenylalanin 
• 689300-82-1 1-(2-chloro-4-nitro-benzyl)-pyrrolidine 
• 1256557-66-0 2-{[(2-chloro-4-nitrophenyl)methyl]sulfanyl}-6-methylpyrimidin-4-ol 
• 93026-28-9 2-Chlor-4-nitro-benzylacetylamino-malonester 
• 853298-98-3 3-chloro-4-(4-ethyl-piperazin-1-ylmethyl)-phenylamine 

Relevant articles and documents

Accelerated Discovery of Novel Ponatinib Analogs with Improved Properties for the Treatment of Parkinson's Disease

Parkinson's disease (PD) is a debilitating and common neurodegenerative disease. New insights implicating c-Abl activation as a driving force in PD have opened a new drug development avenue for PD treatment beyond the symptomatic relief by L-DOPA. BCR-Abl inhibitors, which include nilotinib and ponatinib, have been found to inhibit this process, and nilotinib has shown improvement in outcomes in a 12-patient, nonrandomized trial. However, nilotinib is a potent inhibitor of hERG, a cardiac K+ channel whose inhibition increases risk of sudden death. We used our machine learning approach to predict novel molecules that would inhibit c-Abl while also having minimal liability against hERG. Of our six novel compounds tested, we identified two that had c-Abl potencies comparable to nilotinib, but with significantly improved profiles regarding the hERG channel. Our best compound exhibited a hERG IC50 of 12.1 μM (compared to nilotinib with an IC50 of 0.45 μM and ponatinib with IC50 of 0.767 μM). This work is a step forward for a machine learning enabled, multiparameter optimization of a chemical space and represents a significant advance in the development of novel Parkinson's therapies.

ABELSON NON-TYROSINE KINASE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES

The present disclosure relates to compounds for the use of treating neurodegenerative diseases and, in particular, to compounds targeting the Abelson non-tyrosine kinase (c-Abl) protein for such treatment. The neurological disorders and conditions include Parkinson's disease, Alzheimer's disease and the like. It also relates to pharmaceutical compositions and methods of treatment of such neurological disorders involving the c-Abl protein kinase.

METHODS AND COMPOSITIONS FOR RAF KINASE MEDIATED DISEASES

The invention discloses methods and compositions for treating or preventing RAF kinase mediated diseases or conditions by administering a compound of Formula 1: or a pharmaceutically acceptable salt, solvate or hydrate thereof, wherein the variables are defined as herein.