Cas no 1261899-40-4 (2-chloro-4-(4-methoxy-3-methylphenyl)benzoic Acid)

2-Chloro-4-(4-methoxy-3-methylphenyl)benzoic acid is a substituted benzoic acid derivative featuring a chloro substituent at the 2-position and a 4-methoxy-3-methylphenyl group at the 4-position. This compound is of interest in synthetic organic chemistry due to its versatile reactivity, particularly as an intermediate in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The presence of both electron-donating (methoxy) and electron-withdrawing (chloro) groups enhances its utility in regioselective reactions. Its well-defined structure and stability under standard conditions make it suitable for use in coupling reactions, esterifications, and other functional group transformations. The compound is typically characterized by HPLC, NMR, and mass spectrometry for purity verification.
2-chloro-4-(4-methoxy-3-methylphenyl)benzoic Acid structure
1261899-40-4 structure
Product Name:2-chloro-4-(4-methoxy-3-methylphenyl)benzoic Acid
CAS No:1261899-40-4
MF:C15H13ClO3
MW:276.714923620224
MDL:MFCD18320387
CID:1219172
PubChem ID:53226290
Update Time:2025-06-07

2-chloro-4-(4-methoxy-3-methylphenyl)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-4-(4-methoxy-3-methylphenyl)benzoic Acid
    • DTXSID00690001
    • 3-Chloro-4'-methoxy-3'-methyl[1,1'-biphenyl]-4-carboxylic acid
    • 2-Chloro-4-(4-methoxy-3-methylphenyl)benzoic acid, 95%
    • 1261899-40-4
    • MFCD18320387
    • MDL： MFCD18320387
    • Inchi： 1S/C15H13ClO3/c1-9-7-10(4-6-14(9)19-2)11-3-5-12(15(17)18)13(16)8-11/h3-8H,1-2H3,(H,17,18)
    • InChI Key： HMQCNDYIYQPACH-UHFFFAOYSA-N
    • SMILES： ClC1=C(C(=O)O)C=CC(=C1)C1=CC=C(C(C)=C1)OC

Computed Properties

  • Exact Mass: 276.0553220g/mol
  • Monoisotopic Mass: 276.0553220g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 321
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4
  • Topological Polar Surface Area: 46.5?2

2-chloro-4-(4-methoxy-3-methylphenyl)benzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB327561-5 g
2-Chloro-4-(4-methoxy-3-methylphenyl)benzoic acid, 95%; .
 1261899-40-4 95%
5g
 €1159.00 2023-04-26
abcr
AB327561-5g
2-Chloro-4-(4-methoxy-3-methylphenyl)benzoic acid, 95%; .
 1261899-40-4 95%
5g
 €1159.00 2025-03-19

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