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
• Article Data: 3

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

General Description

3-Bromo-4-chlorotoluene is a chemical compound with the molecular formula C7H6BrCl. It consists of a benzene ring with a bromine atom and a chlorine atom attached at the 3rd and 4th positions, respectively. 3-Bromo-4-chlorotoluene is commonly used as a building block in the synthesis of various pharmaceuticals and agrochemicals. It is also used as an intermediate in the production of dyes, pigments, and other organic compounds. 3-Bromo-4-chlorotoluene is considered to be a hazardous chemical and should be handled with care due to its potential health and environmental risks.

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

Upstream product

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Downstream Products

• 89981-57-7 2-chloro-5-methylbenzyl alcohol 
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• 93868-09-8 1,2-Bis-diethylphosphino-4-methyl-benzene 
• 97499-87-1 Diethyl-<2-diethylphosphino-5-methyl-benzyl>-phosphin 
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• 1443119-69-4 (1S)-1,5-anhydro-2,3,4,6-tetra-O-acetyl-1-(2-chloro-5-methylphenyl)-D-glucitol 
• 1443119-70-7 (1S)-1,5-anhydro-2,3,4,6-tetra-O-acetyl-1-(5-(bromomethyl)-2-chlorophenyl)-D-glucitol 
• 1453860-36-0 C₃₃H₃₃ClO₁₁ 
• 1443119-71-8 (1S)-1,5-anhydro-1-[5-(azulen-2-ylmethyl)-2-chlorophenyl]-D-glucitol 
• 956460-63-2 4-tert-butoxycarbonylamino-4-[(6-chloro-biphenyl-3-ylmethyl)-carbamoyl]-piperidine-1-carboxylic acid tert-butyl ester 

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.

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.