Cas no 92513-36-5 (6-ETHYL-2-METHYLQUINOLINE-3-CARBOXYLIC ACID)

6-Ethyl-2-methylquinoline-3-carboxylic acid is a quinoline derivative characterized by its ethyl and methyl substituents at the 6th and 2nd positions, respectively, along with a carboxylic acid functional group at the 3rd position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its structural features enhance reactivity and selectivity in various chemical transformations, making it valuable for constructing complex heterocyclic frameworks. The presence of the carboxylic acid group allows for further functionalization, enabling applications in coordination chemistry and material science. Its stability and well-defined reactivity profile contribute to its utility in research and industrial processes.
6-ETHYL-2-METHYLQUINOLINE-3-CARBOXYLIC ACID structure
92513-36-5 structure
Product Name:6-ETHYL-2-METHYLQUINOLINE-3-CARBOXYLIC ACID
CAS No:92513-36-5
MF:C13H13NO2
MW:215.247823476791
MDL:MFCD08437576
CID:891673
PubChem ID:329773371
Update Time:2025-06-06

6-ETHYL-2-METHYLQUINOLINE-3-CARBOXYLIC ACID Chemical and Physical Properties

Names and Identifiers

    • 6-ETHYL-2-METHYLQUINOLINE-3-CARBOXYLIC ACID
    • 3-Quinolinecarboxylic acid,6-ethyl-2-methyl
    • QU110
    • CS-0458064
    • MFCD08437576
    • AKOS000351253
    • 6-ETHYL-2-METHYLQUINOLINE-3-CARBOXYLICACID
    • PS-11148
    • AB45130
    • 6-Ethyl-2-methylquinoline-3-carboxylic acid, AldrichCPR
    • 92513-36-5
    • DTXSID70588885
    • FT-0711175
    • DB-079310
    • MDL: MFCD08437576
    • Inchi: 1S/C13H13NO2/c1-3-9-4-5-12-10(6-9)7-11(13(15)16)8(2)14-12/h4-7H,3H2,1-2H3,(H,15,16)
    • InChI Key: WZUBVPVDDWQDFN-UHFFFAOYSA-N
    • SMILES: OC(C1=C(C)N=C2C=CC(CC)=CC2=C1)=O

Computed Properties

  • Exact Mass: 215.09500
  • Monoisotopic Mass: 215.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 267
  • 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: 2.9
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 367.2±37.0 °C at 760 mmHg
  • Flash Point: 175.9±26.5 °C
  • PSA: 50.19000
  • LogP: 2.80380
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

6-ETHYL-2-METHYLQUINOLINE-3-CARBOXYLIC ACID Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H319
  • Warning Statement: P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36
  • Safety Instruction: 26
  • Hazardous Material Identification: Xi
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

6-ETHYL-2-METHYLQUINOLINE-3-CARBOXYLIC ACID Pricemore >>

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