Cas no 100791-00-2 (4-chloropyridine-3-carbonyl chloride)

4-Chloropyridine-3-carbonyl chloride is a versatile heterocyclic building block used in organic synthesis and pharmaceutical applications. Its reactive carbonyl chloride group enables efficient acylation reactions, while the chloropyridine moiety offers opportunities for further functionalization via nucleophilic substitution or metal-catalyzed cross-coupling. This compound is particularly valuable in the preparation of agrochemicals, pharmaceuticals, and specialty chemicals due to its dual reactivity. It serves as a key intermediate for constructing complex molecular architectures, including pyridine-based ligands and active pharmaceutical ingredients. The compound's stability under standard handling conditions and compatibility with common organic solvents enhance its utility in multistep synthetic routes. Proper storage under anhydrous conditions is recommended to maintain reactivity.
4-chloropyridine-3-carbonyl chloride structure
100791-00-2 structure
Product Name:4-chloropyridine-3-carbonyl chloride
CAS No:100791-00-2
MF:C6H3Cl2NO
MW:176.000119447708
MDL:MFCD09864939
CID:124232
PubChem ID:13597878
Update Time:2025-06-07

4-chloropyridine-3-carbonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarbonylchloride, 4-chloro-
    • 3-Pyridinecarbonyl chloride, 4-chloro- (9CI)
    • 4-chloronicotinic acid chloride
    • 4-Chloronicotinoyl chloride
    • 4-Chloro-3-pyridinecarbonylchloride
    • 4-Chloropyridine-3-carbonyl chloride
    • 4-Chloropyridine-3-carbonyl chloride, 4-Chloro-3-(chlorocarbonyl)pyridine
    • 3-Pyridinecarbonyl chloride, 4-chloro-
    • DTXSID10544682
    • AKOS006313597
    • CSQKICWPCREIJP-UHFFFAOYSA-N
    • SCHEMBL587010
    • 100791-00-2
    • CS-0267904
    • MFCD09864939
    • EN300-250299
    • 4-chloropyridine-3-carbonyl chloride
    • MDL: MFCD09864939
    • Inchi: 1S/C6H3Cl2NO/c7-5-1-2-9-3-4(5)6(8)10/h1-3H
    • InChI Key: CSQKICWPCREIJP-UHFFFAOYSA-N
    • SMILES: ClC1C=CN=CC=1C(=O)Cl

Computed Properties

  • Exact Mass: 174.95929
  • Monoisotopic Mass: 174.9591691g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 140
  • 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
  • Topological Polar Surface Area: 30?2

Experimental Properties

  • PSA: 29.96

4-chloropyridine-3-carbonyl chloride Pricemore >>

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