Benzeneacetic acid, α-(bromomethyl)-


Chemical Name: Benzeneacetic acid, α-(bromomethyl)-
CAS Number: 99070-19-6
Product Number: AG003983(AGN-PC-0WALFN)
Synonyms:
MDL No:
Molecular Formula: C10H11BrO2
Molecular Weight: 243.0971

Identification/Properties


Computed Properties
Molecular Weight:
243.1g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
241.994g/mol
Monoisotopic Mass:
241.994g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
164
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
Danger
UN#:
2811
Hazard Statements:
H301-H311-H331-H341
Precautionary Statements:
P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 3-bromo-2-phenylpropanoate serves as a valuable building block in organic synthesis, particularly in the preparation of various pharmaceuticals, agrochemicals, and fine chemicals. This compound can undergo a series of transformative reactions to introduce functional groups or stereochemical motifs, making it a versatile intermediate in the creation of complex molecules. Its reactivity allows for the formation of diverse chemical structures, enabling chemists to develop novel compounds with specific properties and applications. In the realm of drug discovery and material science, methyl 3-bromo-2-phenylpropanoate plays a crucial role in the synthesis of biologically active molecules and advanced materials. By incorporating this compound into synthetic pathways, researchers can access a wide array of molecular scaffolds for further exploration and development.