Cas no 1104383-68-7 (2-Methyl-6-(trifluoromethyl)benzoic acid)

2-Methyl-6-(trifluoromethyl)benzoic acid is a fluorinated aromatic carboxylic acid with a molecular formula of C9H7F3O2. This compound features a methyl group and a trifluoromethyl group positioned ortho to the carboxylic acid functionality, imparting unique electronic and steric properties. Its trifluoromethyl group enhances lipophilicity and metabolic stability, making it valuable in pharmaceutical and agrochemical applications as an intermediate. The benzoic acid core allows for further derivatization, enabling its use in synthesizing more complex molecules. Its structural characteristics contribute to improved binding affinity and selectivity in drug design. The compound is typically supplied as a white to off-white crystalline solid with high purity, suitable for research and industrial use.
2-Methyl-6-(trifluoromethyl)benzoic acid structure
1104383-68-7 structure
Product Name:2-Methyl-6-(trifluoromethyl)benzoic acid
CAS No:1104383-68-7
MF:C9H7F3O2
MW:204.145893335342
MDL:MFCD13185721
CID:1090446
PubChem ID:59273631
Update Time:2025-05-27

2-Methyl-6-(trifluoromethyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-6-(trifluoromethyl)benzoic acid
    • MDL: MFCD13185721
    • Inchi: 1S/C9H7F3O2/c1-5-3-2-4-6(9(10,11)12)7(5)8(13)14/h2-4H,1H3,(H,13,14)
    • InChI Key: HNIHCUXXQZGRAU-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=C(C)C=1C(=O)O)(F)F

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2

2-Methyl-6-(trifluoromethyl)benzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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2-Methyl-6-(trifluoromethyl)benzoic acid
1104383-68-7 97%
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$494.40 2023-09-04
Alichem
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TRC
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$ 50.00 2022-06-04
TRC
M221243-100mg
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$ 70.00 2022-06-04
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M221243-500mg
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$ 295.00 2022-06-04
abcr
AB452999-1 g
2-Methyl-6-(trifluoromethyl)benzoic acid, 95%; .
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€503.90 2023-04-22
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