179898-34-1

Basic information

• Product Name: 3-Bromo-5-fluorobenzonitrile
• Synonyms: -Bromo-5-fluorobenzonitrile 98%;3-BroMo-5-fluoronitrobenzene;3-Cyano-5-fluorobromobenzene;3-BROMO-5-FLUOROBENZONITRILE;3-Bromo-5-fluorobenzonitrile 98%;3-Bromo-5-fluorobenzonitrile98%
• CAS NO: 179898-34-1
• Molecular Formula: C₇H₃BrFN
• Molecular Weight: 200.01
• Product Categories: Multisubstituted Benzene;Aromatic Nitriles;Nitrile;Miscellaneous;Bromine Compounds;Fluorine Compounds;Nitriles;Fluorine series;Fluorobenzene
• Mol File: 179898-34-1.mol
• Article Data: 18

Chemical Properties

• Melting Point: 43 °C
• Boiling Point: 218.7 °C at 760 mmHg
• Flash Point: 86.1 °C
• Appearance: /
• Density: 1.69g/cm³
• Vapor Pressure: 0.124mmHg at 25°C
• Refractive Index: 1.577
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• CAS DataBase Reference: 3-Bromo-5-fluorobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Bromo-5-fluorobenzonitrile(179898-34-1)
• EPA Substance Registry System: 3-Bromo-5-fluorobenzonitrile(179898-34-1)

Safety Data

• Hazard Codes: T,Xi,Xn
• Statements: 20/21/22-36/37/38-36-22
• Safety Statements: 26-36/37/39
• RIDADR: 3439
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 179898-34-1(Hazardous Substances Data)

Usage

Chemical Properties

off-white crystalline

InChI:InChI=1/C7H3BrFN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H

Upstream product

• 1435-51-4 1,3-dibromo-5-fluorobenzene 
• 544-92-3 copper(I) cyanide 
• 304876-25-3 3-fluoro-5-bromobenzaldehyde oxime 
• 933585-20-7 3-bromo-5-fluorophenylamide 
• 887266-90-2 3-bromo-5-fluoro-benzoyl chloride 
• 176548-70-2 3-bromo-5-fluorobenzoic acid 
• 142-71-2 copper diacetate 

Downstream Products

• 945565-37-7 exo tert-butyl 3-(3-bromo-5-cyanophenoxy)-8-azabicyclo[3.2.1]octane-8-carboxylate 
• 1129540-92-6 3-bromo-5-morpholinobenzonitrile 
• 1245744-87-9 C₁₃H₁₂FNO₃ 
• 1312923-99-1 3-(2-(5-methylpyridin-2-yl)ethynyl)-5-fluorobenzonitrile 
• 864063-09-2 3-(2-(2-methylthiazol-4-yl)ethynyl)-5-fluorobenzonitrile 
• 1224431-15-5 3-(2-(6-methylpyridin-2-yl)ethynyl)-5-fluorobenzonitrile 
• 867366-91-4 3-bromo-5-methoxybenzonitrile 
• 305800-55-9 3-(4,4-dimethyl-8-methoxy-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-5-fluorobenzonitrile 
• 453565-62-3 3-bromo-5-fluorophenylamidoxime 
• 179896-03-8 LG120830 
• 945933-48-2 3-fluoro-5-(2-(2-(hydroxymethyl)thiazol-4-yl)ethynyl)benzonitrile 
• 945933-47-1 5-fluoro-3-(2-(2-(tert-butyldimethylsilyloxymethyl)thiazol-4-yl)ethynyl)benzonitrile 
• 872122-56-0 3-ethynyl-5-fluorobenzonitrile 
• 945933-49-3 3-(2-(2-(bromomethyl)thiazol-4-yl)ethynyl)-5-fluorobenzonitrile 

Relevant articles and documents

Discovery and characterization of AZD9272 and AZD6538 - Two novel mGluR5 negative allosteric modulators selected for clinical development

AZD9272 and AZD6538 are two novel mGluR5 negative allosteric modulators selected for further clinical development. An initial high-throughput screening revealed leads with promising profiles, which were further optimized by minor, yet indispensable, structural modifications to bring forth these drug candidates. Advantageously, both compounds may be synthesized in as little as one step. Both are highly potent and selective for the human as well as the rat mGluR5 where they interact at the same binding site than MPEP. They are orally available, allow for long interval administration due to a high metabolic stability and long half-lives in rats and permeate the blood brain barrier to a high extent. AZD9272 has progressed into phase I clinical studies.

Dual Pharmacophores - PDE4-Muscarinic Antagonistics

The present invention is directed to novel compounds of Formula (I) and pharmaceutically acceptable salts thereof, pharmaceutical compositions and their use as dual chromaphores having inhibitory activity against PDE4 and muscarinic acetylcholine receptors (mAChRs), and thus being useful for treating respiratory diseases.

DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS

The present invention is directed to novel compounds of Formula's (I) - (VI), and pharmaceutically acceptable salts thereof, pharmaceutical compositions and their use in therapy, for example as inhibitors of phosphodiesterase type IV (PDE4) and as antagonists of muscarinic acetylcholine receptors (mAChRs), in the treatment of and/or prophylaxis of respiratory diseases, including inflammatory and/or allergic diseases such as chronic obstructive pulmonary disease (COPD), asthma, rhinitis (e.g. allergic rhinitis), atopic dermatitis or psoriasis.