Butane, 4-bromo-1,1,1-trimethoxy-


Chemical Name: Butane, 4-bromo-1,1,1-trimethoxy-
CAS Number: 55444-67-2
Product Number: AG003V38(AGN-PC-0LO4UA)
Synonyms:
MDL No:
Molecular Formula: C7H15BrO3
Molecular Weight: 227.0962

Identification/Properties


Properties
BP:
70 °C0.7 mm Hg(lit.)
Storage:
2-8℃;
Refractive Index:
n20/D 1.456(lit.)
Computed Properties
Molecular Weight:
227.098g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
226.02g/mol
Monoisotopic Mass:
226.02g/mol
Topological Polar Surface Area:
27.7A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
85.4
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


NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Bromo-1,1,1-trimethoxybutane, a versatile chemical compound, finds widespread application in organic synthesis. This compound serves as a valuable building block in the creation of various complex organic molecules due to its unique reactivity and structural characteristics. In chemical synthesis, 4-Bromo-1,1,1-trimethoxybutane is commonly employed as a brominating agent, facilitating the introduction of bromine atoms into organic molecules. Additionally, its three methoxy functional groups provide sites for further chemical modifications, offering researchers a high degree of control and flexibility in designing synthetic routes. By harnessing the reactivity of 4-Bromo-1,1,1-trimethoxybutane, chemists can efficiently access a diverse array of functionalized compounds for use in pharmaceuticals, materials science, and other fields of research.