1-Bromo-2-chloro-3,5-dimethylbenzene


Chemical Name: 1-Bromo-2-chloro-3,5-dimethylbenzene
CAS Number: 933585-12-7
Product Number: AG00H0DS(AGN-PC-0WAN8L)
Synonyms:
MDL No:
Molecular Formula: C8H8BrCl
Molecular Weight: 219.5061

Identification/Properties


Computed Properties
Molecular Weight:
219.506g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
0
Exact Mass:
217.95g/mol
Monoisotopic Mass:
217.95g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
116
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-Bromo-2-chloro-3,5-dimethylbenzene, also known as bromochloro-xylenes, is a versatile chemical compound primarily utilized in organic synthesis. This compound serves as a valuable building block in the production of various pharmaceuticals, agrochemicals, and specialty chemicals. With its unique structure and reactivity, 1-Bromo-2-chloro-3,5-dimethylbenzene is commonly employed as a key intermediate in the preparation of complex organic molecules.In chemical synthesis, 1-Bromo-2-chloro-3,5-dimethylbenzene participates in numerous reactions such as nucleophilic substitution, palladium-catalyzed cross-coupling, and aromatic substitution. Its bromo and chloro substituents enable selective modifications to be made at specific positions on the benzene ring, allowing chemists to create a diverse array of functionalized derivatives. This compound's synthetic versatility makes it an essential reagent for the construction of intricate molecular structures with tailored properties and functionalities.Furthermore, the presence of both bromine and chlorine atoms in 1-Bromo-2-chloro-3,5-dimethylbenzene imparts valuable properties to the final products, enhancing their biological activities or chemical reactivities. By incorporating this compound into synthetic pathways, chemists can access a wide range of valuable compounds with potential applications in medicinal chemistry, materials science, and other cutting-edge fields.