Cas no 1803824-41-0 (2,6-Dichloro-4-methylmandelic acid)

2,6-Dichloro-4-methylmandelic acid is a chlorinated derivative of mandelic acid, characterized by the presence of two chlorine atoms at the 2- and 6-positions and a methyl group at the 4-position of the aromatic ring. This structural modification enhances its utility as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. The electron-withdrawing chlorine groups improve its reactivity in nucleophilic substitution and coupling reactions, while the methyl group contributes to steric and electronic tuning. Its crystalline form ensures stability and ease of handling. The compound is valued for its role in producing bioactive molecules with potential applications in medicinal chemistry.
2,6-Dichloro-4-methylmandelic acid structure
1803824-41-0 structure
Product Name:2,6-Dichloro-4-methylmandelic acid
CAS No:1803824-41-0
MF:C9H8Cl2O3
MW:235.064021110535
CID:4705986
Update Time:2025-05-27

2,6-Dichloro-4-methylmandelic acid Chemical and Physical Properties

Names and Identifiers

    • 2,6-Dichloro-4-methylmandelic acid
    • Inchi: 1S/C9H8Cl2O3/c1-4-2-5(10)7(6(11)3-4)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)
    • InChI Key: GUYUXBOPORQVHW-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C)C=C(C=1C(C(=O)O)O)Cl

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 210
  • Topological Polar Surface Area: 57.5

2,6-Dichloro-4-methylmandelic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A015024207-250mg
2,6-Dichloro-4-methylmandelic acid
1803824-41-0 97%
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499.20 USD 2021-05-31
Alichem
A015024207-500mg
2,6-Dichloro-4-methylmandelic acid
1803824-41-0 97%
500mg
782.40 USD 2021-05-31
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1803824-41-0 97%
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1,534.70 USD 2021-05-31
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