Cas no 850554-82-4 (4,6-Dichloro-5-(chloromethyl)pyrimidin-2-amine)

4,6-Dichloro-5-(chloromethyl)pyrimidin-2-amine is a versatile pyrimidine derivative widely used as a key intermediate in organic synthesis and pharmaceutical research. Its reactive chloromethyl and dichloro substituents enable selective functionalization, making it valuable for constructing complex heterocyclic compounds. The compound exhibits high purity and stability under controlled conditions, ensuring reliable performance in nucleophilic substitution and cross-coupling reactions. Its structural features facilitate applications in agrochemical and medicinal chemistry, particularly in the development of active pharmaceutical ingredients (APIs) and biologically active molecules. Proper handling under inert atmospheres is recommended due to its sensitivity to moisture and reactivity.
4,6-Dichloro-5-(chloromethyl)pyrimidin-2-amine structure
850554-82-4 structure
Product Name:4,6-Dichloro-5-(chloromethyl)pyrimidin-2-amine
CAS No:850554-82-4
MF:C5H4Cl3N3
MW:212.464357376099
MDL:MFCD19443301
CID:859479
PubChem ID:66545197
Update Time:2025-06-07

4,6-Dichloro-5-(chloromethyl)pyrimidin-2-amine Chemical and Physical Properties

Names and Identifiers

    • 4,6-Dichloro-5-(chloromethyl)pyrimidin-2-amine
    • MF-0727
    • AKOS015991558
    • 850554-82-4
    • DTXSID30735171
    • SB59633
    • MFCD19443301
    • J-514131
    • FT-0684584
    • MDL: MFCD19443301
    • Inchi: 1S/C5H4Cl3N3/c6-1-2-3(7)10-5(9)11-4(2)8/h1H2,(H2,9,10,11)
    • InChI Key: PJKQTWFNYVYTAZ-UHFFFAOYSA-N
    • SMILES: ClCC1=C(N=C(N)N=C1Cl)Cl

Computed Properties

  • Exact Mass: 210.947080g/mol
  • Monoisotopic Mass: 210.947080g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 122
  • 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: 2.2
  • Topological Polar Surface Area: 51.8?2

Experimental Properties

  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 405.1±55.0 °C at 760 mmHg
  • Flash Point: 198.8±31.5 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

4,6-Dichloro-5-(chloromethyl)pyrimidin-2-amine Security Information

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abcr
AB338691-500 mg
4,6-Dichloro-5-(chloromethyl)pyrimidin-2-amine, 95%; .
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