Cas no 796090-23-8 (2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid)

2-Chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid is a versatile heterocyclic building block used in pharmaceutical and agrochemical synthesis. Its trifluoromethyl and chloro substituents enhance reactivity, enabling selective derivatization, while the carboxylic acid group facilitates further functionalization. This compound is valued for its stability and utility in constructing complex molecules, particularly in medicinal chemistry and crop protection applications.
2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid structure
796090-23-8 structure
Product Name:2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid
CAS No:796090-23-8
MF:C7H3ClF3NO2
MW:225.552431344986
MDL:MFCD13188811
CID:850438
PubChem ID:11218389
Update Time:2025-06-17

2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-6-(trifluoromethyl)isonicotinic acid
    • 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid
    • 2-Chloro-6-trifluoromethyl-isonicotinic acid
    • 2-CHLORO-6-(TRIFLUOROMETHYL)-4-PYRIDINECARBOXYLIC ACID
    • 4-Pyridinecarboxylic acid, 2-chloro-6-(trifluoromethyl)-
    • AB67172
    • AGN-PC-004LQN
    • AK110480
    • KB-229955
    • OMXMPMNUSMLQQS-UHFFFAOYSA-N
    • 2435AC
    • NE59463
    • CM10669
    • 2-Chloro-6-trifluoromethylisonicotinic acid
    • Z1695906763
    • 2-(Trifluoromethyl)-6-chloropyridine-4-carboxylic acid
    • 4-Pyridinecarbo
    • AKOS016008866
    • F13423
    • Z1269110217
    • SY097629
    • MFCD13188811
    • 796090-23-8
    • CS-0051936
    • AMY34743
    • EN300-114361
    • DTXSID50459100
    • AC-29101
    • SCHEMBL3243480
    • AS-47358
    • 2-Chloro-6-(trifluoromethyl)isonicotinicacid
    • 2-Chloro-6-(trifluoromethyl)-4-pyridinecarboxylic acid (ACI)
    • DB-093735
    • MDL: MFCD13188811
    • Inchi: 1S/C7H3ClF3NO2/c8-5-2-3(6(13)14)1-4(12-5)7(9,10)11/h1-2H,(H,13,14)
    • InChI Key: OMXMPMNUSMLQQS-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C(C(F)(F)F)N=C(Cl)C=1)O

Computed Properties

  • Exact Mass: 224.9804405g/mol
  • Monoisotopic Mass: 224.9804405g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 234
  • 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
  • Topological Polar Surface Area: 50.2
  • XLogP3: 2.3

Experimental Properties

  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 348.7±42.0 °C at 760 mmHg
  • Flash Point: 164.7±27.9 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid Security Information

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2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Butyllithium ,  Butylmagnesium chloride Solvents: Tetrahydrofuran ,  Hexane ;  0 °C; 5 min, 0 °C
1.2 -79 °C
1.3 Reagents: Hydrochloric acid Solvents: Diethyl ether ,  Water
Reference
Three chloro(trifluoromethyl)pyridines as model substrates for regioexhaustive functionalization
Cottet, Fabrice; Schlosser, Manfred, European Journal of Organic Chemistry, 2004, (18), 3793-3798

2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid Raw materials

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