Cas no 948294-07-3 (5-Chloro-2,8-dimethylquinoline-3-carboxylic Acid)

5-Chloro-2,8-dimethylquinoline-3-carboxylic Acid is a quinoline derivative with a carboxylic acid functional group at the 3-position and chloro and methyl substituents at the 5-, 2-, and 8-positions, respectively. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. Its structural features, including the electron-withdrawing chloro group and electron-donating methyl groups, contribute to its reactivity in cross-coupling reactions, cyclizations, and other transformations. The carboxylic acid moiety allows for further derivatization, making it valuable for constructing complex heterocyclic frameworks. Its well-defined purity and stability under standard conditions ensure consistent performance in research and industrial applications.
5-Chloro-2,8-dimethylquinoline-3-carboxylic Acid structure
948294-07-3 structure
Product Name:5-Chloro-2,8-dimethylquinoline-3-carboxylic Acid
CAS No:948294-07-3
MF:C12H10ClNO2
MW:235.666302204132
MDL:MFCD09787782
CID:867565
PubChem ID:17039943
Update Time:2025-06-07

5-Chloro-2,8-dimethylquinoline-3-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 5-chloro-2,8-dimethyl-quinoline-3-carboxylic acid
    • 3-BROMO-4-CHLORO-7-METHOXYQUINOLINE
    • 5-CHLORO-2,8-DIMETHYLQUINOLINE-3-CARBOXYLIC ACID
    • 948294-07-3
    • CS-0367122
    • AB52227
    • FT-0701851
    • DTXSID00589103
    • MFCD09787782
    • 5-Chloro-2,8-dimethylquinoline-3-carboxylic Acid
    • MDL: MFCD09787782
    • Inchi: 1S/C12H10ClNO2/c1-6-3-4-10(13)9-5-8(12(15)16)7(2)14-11(6)9/h3-5H,1-2H3,(H,15,16)
    • InChI Key: SHGJKLOQJDLYBG-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C)C2C1=CC(C(=O)O)=C(C)N=2

Computed Properties

  • Exact Mass: 235.04000
  • Monoisotopic Mass: 235.0400063g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 284
  • 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: 3.1
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 388.4±37.0 °C at 760 mmHg
  • Flash Point: 188.7±26.5 °C
  • PSA: 50.19000
  • LogP: 3.20320
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

5-Chloro-2,8-dimethylquinoline-3-carboxylic Acid Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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$ 50.00 2022-06-06
TRC
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Apollo Scientific
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£207.00 2025-02-20
Apollo Scientific
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abcr
AB213613-250 mg
5-Chloro-2,8-dimethylquinoline-3-carboxylic acid
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€136.80 2022-06-11
abcr
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€279.00 2022-06-11
abcr
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1PlusChem
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1PlusChem
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