Cas no 860296-20-4 (4-Chloro-5-fluoropyridine-3-carboxylic Acid)

4-Chloro-5-fluoropyridine-3-carboxylic Acid structure
860296-20-4 structure
Product Name:4-Chloro-5-fluoropyridine-3-carboxylic Acid
CAS No:860296-20-4
MF:C6H3ClFNO2
MW:175.544924020767
CID:1093274
PubChem ID:11457988
Update Time:2024-10-26

4-Chloro-5-fluoropyridine-3-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-5-fluoronicotinic acid
    • 4-Chloro-5-fluoropyridine-3-carboxylic Acid
    • 4-Chloro-5-fluoro-3-pyridinecarboxylic acid (ACI)
    • 4-chloro-5-fluoro-nicotinic acid
    • SDRWXOCHMBWAAW-UHFFFAOYSA-N
    • MFCD18257385
    • AT10270
    • EN300-103731
    • AKOS022187953
    • SCHEMBL2563320
    • CS-0195783
    • 4-CHLORO-5-FLUORONICOTINICACID
    • 4-chloro-5-fluoro-pyridine-3-carboxylic Acid
    • DB-106739
    • AB74905
    • 860296-20-4
    • MDL: MFCD18257385
    • Inchi: 1S/C6H3ClFNO2/c7-5-3(6(10)11)1-9-2-4(5)8/h1-2H,(H,10,11)
    • InChI Key: SDRWXOCHMBWAAW-UHFFFAOYSA-N
    • SMILES: O=C(C1C(Cl)=C(F)C=NC=1)O

Computed Properties

  • Exact Mass: 174.9836342g/mol
  • Monoisotopic Mass: 174.9836342g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 167
  • 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: 1.1
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • Density: 1.6±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 287.4±35.0 °C at 760 mmHg
  • Flash Point: 127.6±25.9 °C
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

4-Chloro-5-fluoropyridine-3-carboxylic Acid Security Information

4-Chloro-5-fluoropyridine-3-carboxylic Acid Pricemore >>

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4-Chloro-5-fluoropyridine-3-carboxylic Acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Diisopropylamine ,  Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  20 h, -75 °C
1.2 -
1.3 Reagents: Hydrochloric acid Solvents: Water ;  rt
Reference
Converting core compounds into building blocks: The concept of regiochemically exhaustive functionalization
Marzi, Elena; Bobbio, Carla; Cottet, Fabrice; Schlosser, Manfred, European Journal of Organic Chemistry, 2005, (10), 2116-2123

Production Method 2

Reaction Conditions
1.1 Reagents: Diisopropylamine ,  Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  10 min, -75 °C
1.2 -
1.3 Reagents: Hydrochloric acid Solvents: Water ;  rt
Reference
Converting core compounds into building blocks: The concept of regiochemically exhaustive functionalization
Marzi, Elena; Bobbio, Carla; Cottet, Fabrice; Schlosser, Manfred, European Journal of Organic Chemistry, 2005, (10), 2116-2123

4-Chloro-5-fluoropyridine-3-carboxylic Acid Raw materials

4-Chloro-5-fluoropyridine-3-carboxylic Acid Preparation Products

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