18880-04-1

Basic information

• Product Name: 3,4-Dichlorobenzyl bromide
• Synonyms: TIMTEC-BB SBB005763;3,4-DICHLOROBENZYL BROMIDE;4-(BROMOMETHYL)-1,2-DICHLOROBENZENE;alpha-Bromo-3,4-dichlorotoluene;à-bromo-3,4-dichlorotoluene;3,4-Dichlorobenzyl bromide 97%;3,4-Dichlorobenzylbromide97%;α-Bromo-3,4-dichlorotoluene, 1-Bromomethyl-3,4-dichlorobenzene, 4-(Bromomethyl)-1,2-dichlorobenzene
• CAS NO: 18880-04-1
• Molecular Formula: C₇H₅BrCl₂
• Molecular Weight: 239.92
• EINECS: -0
• Product Categories: Methyl Halides;Phenyls & Phenyl-Het;Methyl Halides;Phenyls & Phenyl-Het
• Mol File: 18880-04-1.mol
• Article Data: 10

Chemical Properties

• Melting Point: 19 °C
• Boiling Point: 115-120 °C (1 mmHg)
• Flash Point: 110 °C
• Appearance: Clear colorless to brown/Liquid
• Density: 1.650
• Vapor Pressure: 0.0169mmHg at 25°C
• Refractive Index: 1.605-1.607
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility: Insoluble in water.
• Sensitive: Lachrymatory
• BRN: 742579
• CAS DataBase Reference: 3,4-Dichlorobenzyl bromide(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-Dichlorobenzyl bromide(18880-04-1)
• EPA Substance Registry System: 3,4-Dichlorobenzyl bromide(18880-04-1)

Safety Data

• Hazard Codes: C,T,N
• Statements: 34-22
• Safety Statements: 45-36/37/39-25-61-26
• RIDADR: 1760
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 18880-04-1(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless to light yellow liquid

Uses

3,4-Dichlorobenzyl bromide is used as a pharmaceutical intermediate. It is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

InChI:InChI=1/C7H5BrCl2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2

Upstream product

• 6287-38-3 3,4-dichlorobenzaldehyde 
• 1805-32-9 3,4-dichlorobenzyl alcohol 
• 95-75-0 3,4-Dichlorotoluene 

Downstream Products

• 109287-49-2 1-(3,4-dichloro-benzyl)-4-methyl-pyridinium; bromide 
• 393548-69-1 (S)-3-(3,4-Dichloro-benzyl)-2-oxo-imidazolidine-1,5-dicarboxylic acid dibenzyl ester 
• 820244-68-6 (1R,2R,3R,5R,6R)-2-(tert-butoxycarbonylamino)-3-(3,4-dichlorobenzylamino)-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid diethyl ester 
• 51-44-5 3,4-dichlorbenzoic acid 
• 220772-47-4 ethyl 1-(3,4-dichlorobenzyl)isonipecotate 

Relevant articles and documents

Synthesis, Docking, and Biological activities of novel Metacetamol embedded [1,2,3]-triazole derivatives

ERα controls the breast tissue development and progression of breast cancer. In our search for novel compounds to target Estrogen Receptor Alpha Ligand-Binding Domain, we identified “N-(3-((1H-1,2,3-triazol-4-yl)methoxy)phenyl)acetamide” derivatives as lead compounds. The Docking studies indicated good docking score for Metacetamol derivatives when docked into the 1XP6. A series of metacetamol derivatives have been synthesized, characterized and evaluated for cytotoxicity, anti bacterial and anti oxidant activities. Among the tested twelve hybrid compounds, “7a, 7g, 7h and 7i” derivatives showed promising cytotoxicity with IC50 value of 50 value of 30 μM, whereas Compounds “7a, 7b, 7c, 7d, 7g, 7j, 7k and 7l” showed moderate anti bacterial activity with the MIC value of 300 μM.

High selectively oxidative bromination of toluene derivatives by the H 2O2-HBr system

An aqueous solution of hydrogen peroxide and hydrogen bromide illuminated by a 60 W incandescent light bulb serves as a source of bromine radicals. Various substituted toluenes (NO2, Cl, Br, H, CH3) were high selectively brominated at the benzyl position for monobromination in CH2Cl2 at ice water with catalyst free. This simple but effective bromination of toluene derivatives with an aqueous H2O 2-HBr system is characterized with the use of inexpensive reagents and a lower impact on the environment, which make it a good alternative to the existing bromination methods.

Lewis acid catalyzed highly selective halogenation of aromatic compounds

A simple and efficient procedure for the halogenation of aromatic compounds with NCS, NBS, NIS and NFSI in the presence of catalytic amount of ZrCl 4 is described. Chlorination, bromination, iodination and fluorination of various aromatic compounds are performed with high selectivity under mild reaction conditions. Georg Thieme Verlag Stuttgart.