Propanoic acid, 3-(2-bromophenoxy)-


Chemical Name: Propanoic acid, 3-(2-bromophenoxy)-
CAS Number: 165538-35-2
Product Number: AG001W6S(AGN-PC-015V5N)
Synonyms:
MDL No: MFCD02295726
Molecular Formula: C9H9BrO3
Molecular Weight: 245.0700

Identification/Properties


Properties
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
245.072g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
243.974g/mol
Monoisotopic Mass:
243.974g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
172
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-(2-Bromophenoxy)propanoic acid is a versatile compound that plays a crucial role in chemical synthesis. This compound is utilized as a building block in organic reactions to introduce the 2-bromophenoxy group into various organic molecules. With its specific structural features, 3-(2-Bromophenoxy)propanoic acid enables chemists to incorporate the 2-bromophenoxy moiety into diverse chemical structures, resulting in the synthesis of novel compounds with tailored properties.One of the key applications of 3-(2-Bromophenoxy)propanoic acid is in the synthesis of pharmaceuticals. By incorporating this compound into drug candidates, chemists can modify the pharmacological properties of the molecules, potentially enhancing their efficacy or reducing side effects. Additionally, the 2-bromophenoxy group can serve as a versatile handle for further functionalization, allowing for the creation of structurally diverse molecules for drug discovery efforts.In addition to its pharmaceutical applications, 3-(2-Bromophenoxy)propanoic acid is also used in the synthesis of agrochemicals, materials, and other specialty chemicals. Its unique reactivity and compatibility with a wide range of synthetic methods make it a valuable tool for chemists working in various industries. By leveraging the properties of this compound, researchers can access new chemical space and develop innovative solutions to address complex challenges in these fields.