133059-44-6

Basic information

• Product Name: 4-Bromo-3-fluorobenzonitrile
• Synonyms: 3-FLUORO-4-BROMOBENZONITRILE;4-BROMO-3-FLUOROBENZONITRILE;4-Bromo-3-fluorobenzonitrile97%;4-Cyano-2-fluorobromobenzene
• CAS NO: 133059-44-6
• Molecular Formula: C₇H₃BrFN
• Molecular Weight: 200.01
• Product Categories: Aromatic Nitriles;Fluorine series
• Mol File: 133059-44-6.mol

Chemical Properties

• Melting Point: 54-58 C
• Boiling Point: 230.1 °C at 760 mmHg
• Flash Point: 93 °C
• Appearance: /
• Density: 1.69 g/cm³
• Vapor Pressure: 0.067mmHg at 25°C
• Refractive Index: 1.577
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 4-Bromo-3-fluorobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Bromo-3-fluorobenzonitrile(133059-44-6)
• EPA Substance Registry System: 4-Bromo-3-fluorobenzonitrile(133059-44-6)

Safety Data

• Hazard Codes: T,Xi,Xn
• Statements: 20/21/22-36/37/38-36-22
• Safety Statements: 26-36
• HazardClass: IRRITANT
• Hazardous Substances Data: 133059-44-6(Hazardous Substances Data)

Usage

Chemical Properties

White to light brown solid

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

Upstream product

• 133059-43-5 4-bromo-3-fluorobenzaldehyde 
• 64248-62-0 3,4-Difluorobenzonitrile 
• 63069-50-1 4-cyano-2-fluoroaniline 
• 367-24-8 4-bromo-2-fluoroaniline 
• 7787-70-4 copper(I) bromide 

Downstream Products

• 133059-43-5 4-bromo-3-fluorobenzaldehyde 
• 133302-62-2 4-bromo-3-fluorobenzamidine hydrogen chloride 
• 656-65-5 3-fluoro-4-bromophenylamine 
• 219873-06-0 3-fluoro-4-(hydroxymethyl)benzonitrile 
• 1567219-40-2 (S)-methyl 2-(7-(4-(allyloxy)-4-methylpiperidin-1-yl)-2-(4‘-cyano-2‘-((S)-pent-4-en-2-yloxy)-[1,1‘-biphenyl]-3-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetate 
• 1567219-38-8 (S)-4-bromo-3-(pent-4-en-2-yloxy)benzonitrile 
• 581812-99-9 1-(4-bromo-3-fluorophenyl)methanamine 
• 1352144-78-5 4-acetyl-3-fluorobenzonitrile 
• 780721-73-5 4-bromo-3-fluorobenzamidine 
• 764648-74-0 (2S)-3-{[2-(4-bromo-3-fluorophenyl)-6-ethylpyrimidin-4-yl]amino}propane-1,2-diol 
• 764649-58-3 (2R)-3-{[2-(4-bromo-3-fluorophenyl)-6-methylpyrimidin-4-yl]amino}propane-1,2-diol 
• 764649-10-7 (2S)-3-{[2-(4-bromo-3-fluorophenyl)-6-methylpyrimidin-4-yl]amino}propane-1,2-diol 
• 504404-02-8 2-(4-bromo-3-fluorophenyl)-6-methyl-N-[2-(1-oxidopyridin-3-yl)ethyl]pyrimidin-4-amine 
• 764649-37-8 (2R)-3-{[2-(4-bromo-3-fluorophenyl)-6-ethylpyrimidin-4-yl]amino}propane-1,2-diol oxalate 

Relevant articles and documents

Preparation method of 4-cyano-2-fluorobenzyl alcohol

The invention discloses a preparation method of 4-cyano-2-fluorobenzyl alcohol, and belongs to the technical field of medical intermediates. 3, 4-difluorobenzonitrile is adopted as a raw material and reacts with potassium bromide in the presence of a phase transfer catalyst, or 3-fluoro-4-bromobenzaldehyde and hydroxylamine are subjected to a dehydration reaction to obtain 3-fluoro-4-bromobenzonitrile, and then the 3-fluoro-4-bromobenzonitrile is subjected to Grignard reagent exchange and reacts with paraformaldehyde to obtain the 4-cyano-2-fluorobenzyl alcohol. The method is safe and stable, the obtained product is easy to purify, and the method has potential industrial amplification prospects.

Synthesis method of tedizolid phosphate intermediate 3-fluoro-4-bromoaniline

The invention provides a synthesis method of a tedizolid phosphate intermediate 3-fluoro-4-bromoaniline. The synthesis method comprises the following steps: (1) performing reacting of a compound 1 with ammonia gas to obtain a compound 2; (2) performing reacting of the compound 2 with hydrobromic acid to obtain a compound 3; and (3) reducing a cyano group in the compound 3 into an amino group to obtain a compound 4. The raw material adopted by the method is cheap and easy to obtain, and the method is mild in reaction condition, simple in equipment requirement, high in safety index and suitablefor large-scale commercial production. The yield of the tedizolid phosphate intermediate 3-fluoro-4-bromoaniline prepared by the process provided by the invention is up to 56.61% or above, the purityis up to 99.70% or above, and the content of isomer impurities in the product is as low as 0.17% or below. The invention provides the cheap and easily available high-quality intermediate for commercial production of tedizolid phosphate bulk drugs, and a wide application prospect is achieved.

NOVEL GPR119 AGONIST COMPOUNDS

The present invention relates to novel compounds of formula (I), process for preparation of the same and composition comprising these compounds.

Pyrimidine derivatives and liquid crystal compositions including same

2-phenyl-5-(4'-trans-cyclohexyl) phenyl pyrimidine derivatives represented by the general formula: STR1 wherein R is a straight chain alkyl group having 1 to 10 carbon atoms; X is CN or F; Y is F or H; Z is F or H; and when X is F, at least one of Y and Z is H; and the cyclohexane ring is a trans isomer, exhibiting a nematic phase and having a high nematic phase-isotropic liquid phase transition temperature (N-I Point) and large positive dielectric constant anisotropy (Δε). The pyrimidine derivatives may be included in liquid crystal compositions for improved display devices having a wide temperature range, including a high N-I point, a low threshold voltage and a low driving voltage.