Benzene, 4-bromo-1-chloro-2-methoxy-


Chemical Name: Benzene, 4-bromo-1-chloro-2-methoxy-
CAS Number: 16817-43-9
Product Number: AG001XWN(AGN-PC-0KKTHI)
Synonyms:
MDL No: MFCD00078659
Molecular Formula: C7H6BrClO
Molecular Weight: 221.4789

Identification/Properties


Properties
MP:
27-28 °C
BP:
231.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.587(lit.)
Computed Properties
Molecular Weight:
221.478g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
219.929g/mol
Monoisotopic Mass:
219.929g/mol
Topological Polar Surface Area:
9.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
110
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



5-Bromo-2-chloroanisole, a versatile chemical compound, serves as a key building block in organic synthesis. Due to its unique molecular structure, this compound is commonly employed in various chemical reactions to introduce specific functional groups into organic molecules. One of the primary applications of 5-Bromo-2-chloroanisole in chemical synthesis is as a valuable intermediate in the preparation of pharmaceuticals and agrochemicals. Its reactivity allows for the selective substitution of both bromine and chlorine atoms, enabling the controlled modification of complex molecular structures. Furthermore, this compound exhibits excellent stability under a wide range of reaction conditions, making it a valuable tool in the development of novel organic compounds with tailored properties. In summary, 5-Bromo-2-chloroanisole plays a crucial role in modern organic synthesis as a versatile and reliable building block for the creation of diverse chemical entities.