Benzeneacetic acid, 2-chloro-a-hydroxy-


Chemical Name: Benzeneacetic acid, 2-chloro-a-hydroxy-
CAS Number: 10421-85-9
Product Number: AG003H2L(AGN-PC-0OT2I9)
Synonyms:
MDL No:
Molecular Formula: C8H7ClO3
Molecular Weight: 186.5924

Identification/Properties


Properties
MP:
90-93 °C(lit.)
BP:
350.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5250 (estimate)
Computed Properties
Molecular Weight:
186.591g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
186.008g/mol
Monoisotopic Mass:
186.008g/mol
Topological Polar Surface Area:
57.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
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

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NMR Spectrum


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Chemical Structure



2-Chloromandelic acid is a versatile compound commonly used in chemical synthesis due to its valuable reactivity and properties. It serves as a key intermediate in the production of various pharmaceuticals, agrochemicals, and fine chemicals. One of its primary applications is as a building block in the synthesis of drug molecules and pharmaceutical ingredients. Its unique structure allows for selective functionalization, making it a valuable starting material for organic reactions. Additionally, 2-Chloromandelic acid can be utilized in the preparation of chiral ligands, which are crucial in asymmetric catalysis for the production of enantiomerically pure compounds. Its role in chemical synthesis extends to the creation of specialized materials and in the development of new synthetic methodologies. Overall, 2-Chloromandelic acid plays a significant role in advancing the field of organic chemistry by enabling the efficient and controlled synthesis of complex molecules with diverse applications.