57310-39-1

Basic information

• Product Name: 3-BROMO-4-CHLOROTOLUENE
• Synonyms: 3-BROMO-4-CHLOROTOLUENE;3 3-Bromo-4-Chloro Toluene;4-Chluoro-3-bromotoluene
• CAS NO: 57310-39-1
• Molecular Formula: C₇H₆BrCl
• Molecular Weight: 205.47954
• Product Categories: Aromatic Halides (substituted);Halogen toluene;Bromine Compounds;Chlorine Compounds
• Mol File: 57310-39-1.mol

Chemical Properties

• Boiling Point: 112 °C
• Flash Point: 104.51 °C
• Appearance: /
• Density: 1,55 g/cm3
• Vapor Pressure: 0.107mmHg at 25°C
• Refractive Index: 1.566
• Storage Temp.: Room temperature.
• CAS DataBase Reference: 3-BROMO-4-CHLOROTOLUENE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BROMO-4-CHLOROTOLUENE(57310-39-1)
• EPA Substance Registry System: 3-BROMO-4-CHLOROTOLUENE(57310-39-1)

Safety Data

• Hazard Codes: Xi,N,Xn
• Statements: 22-51/53
• Safety Statements: 61
• RIDADR: UN 2811 6.1 / PGIII
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 57310-39-1(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-Bromo-4-chlorotoluene is used as a key building block for the synthesis of various pharmaceuticals. Its unique structure allows for the development of new drugs with specific therapeutic properties, contributing to the advancement of medicine and healthcare.
Used in Agrochemical Industry:
In the agrochemical industry, 3-Bromo-4-chlorotoluene serves as an essential intermediate in the production of agrochemicals. Its incorporation into these compounds helps enhance crop protection and yield, supporting sustainable agriculture.
Used in Dye and Pigment Production:
3-Bromo-4-chlorotoluene is utilized as an intermediate in the manufacturing process of dyes and pigments. Its presence in these compounds contributes to the creation of vibrant colors and hues, finding applications in various industries such as textiles, plastics, and printing.
Used in Organic Compound Synthesis:
As an intermediate, 3-Bromo-4-chlorotoluene plays a crucial role in the synthesis of other organic compounds. Its versatile structure allows for the development of new materials with specific properties, expanding the scope of organic chemistry and its applications.

InChI:InChI=1/C7H6BrCl/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3

Upstream product

• 106-43-4 para-chlorotoluene 
• 89-62-3 4-methyl-2-nitroaniline 
• 13194-71-3 2-bromo-4-methyl-aniline; hydrochloride 
• 87995-68-4 N-(2-bromo-4-methylphenyl)-4-methylbenzenesulfonamide 
• 591-17-3 meta-bromotoluene 
• 583-68-6 2-bromo-p-toluidine 
• 614-83-5 2-bromo-4-methylacetanilide 

Downstream Products

• 101421-16-3 3-bromo-4-chloro-2,6-dinitro-toluene 
• 89981-57-7 2-chloro-5-methylbenzyl alcohol 
• 92547-22-3 <2-Chlor-5-methylphenyl>-diethylphosphin 
• 94572-41-5 Di-<2-Chlor-5-methylphenyl>-ethylphosphin 
• 19482-24-7 2-chloro-5-methyl-1,1'-biphenyl 
• 21900-34-5 3-bromo-4-chlorobenzoyl chloride 
• 22603-57-2 6-chloro-3-methyl-2,4-dinitro-aniline 
• 99514-30-4 (6-chloro-3-methyl-2,4-dinitro-phenyl)-phenyl ether 
• 107682-13-3 (6-chloro-3-methyl-2,4-dinitro-phenyl)-p-tolyl-amine 
• 91801-59-1 Diethyl-(2-chlor-5-methyl-benzyl)-phosphin 
• 93868-09-8 1,2-Bis-diethylphosphino-4-methyl-benzene 
• 97499-87-1 Diethyl-<2-diethylphosphino-5-methyl-benzyl>-phosphin 
• 1217102-15-2 5-methyl-1,2-diphenyl-1H-benzo[d]imidazole 
• 2523-39-9 3-methylfluorene 

Relevant articles and documents

Design, synthesis and structure–activity relationships of novel phenylalanine-based amino acids as kainate receptors ligands

A new series of carboxyaryl-substituted phenylalanines was designed, synthesized and pharmacologically characterized in vitro at native rat ionotropic glutamate receptors as well as at cloned homomeric kainate receptors GluK1–GluK3. Among them, six compounds bound to GluK1 receptor subtypes with reasonable affinity (Kivalues in the range of 4.9–7.5?μM). A structure–activity relationship (SAR) for the obtained series, focused mainly on the pharmacological effect of structural modifications in the 4- and 5-position of the phenylalanine ring, was established. To illustrate the results, molecular docking of the synthesized series to the X-ray structure of GluK1 ligand binding core was performed. The influence of individual substituents at the phenylalanine ring for both the affinity and selectivity at AMPA, GluK1 and GluK3 receptors was analyzed, giving directions for future studies.

Contrasting chemoselectivities in the ultrasound and microwave assisted bromination reactions of substituted alkylaromatics with N-bromosuccinimide

Ultrasound and microwave assisted bromination reactions of various alkylaryls with N-bromosuccinimide, either neat or in water, shows diverse chemoselectivity. Thus, ring substitution occurs in water with ultrasound, whereas with microwaves both side-chain α-bromination and ring substitution occur. With neat reactants, side-chain α-bromination predominates for microwave assisted reactions. In the presence of water the chemoselectivity with microwave-promoted bromination is similar to that observed using classical methods.

Covenient Halodeamination and Hydrodeamination of Primary Amines

Treatment of p-toluenesulfonamides of primary amines with 2 equiv of chloroamine at room temperature in the presence of base leads to reductive deamination.If excess chloroamine is present, the corresponding alkyl or aryl halides are obtained instead in good yields.Both reactions presumably proceed via tosylhydrazine and diazene intermediates; the course of the reaction is often governed by steric hindrance.Treatment of the isolated tosylhydrazine intermediate with base and chloroamine, bromine, or iodine also leads to the corresponding halides in very good yields.