Cas no 1135283-08-7 (5-Bromo-2-ethynylpyrimidine)

5-Bromo-2-ethynylpyrimidine is a versatile heterocyclic compound featuring both bromo and ethynyl functional groups, making it a valuable intermediate in organic synthesis and pharmaceutical research. The bromo substituent facilitates cross-coupling reactions, such as Suzuki or Sonogashira couplings, while the ethynyl group enables further functionalization via click chemistry or cycloaddition reactions. This compound is particularly useful in the development of pyrimidine-based scaffolds for drug discovery, agrochemicals, and materials science. Its high reactivity and selectivity make it a preferred choice for constructing complex molecular architectures. The compound is typically handled under inert conditions due to the sensitivity of the ethynyl group.
5-Bromo-2-ethynylpyrimidine structure
5-Bromo-2-ethynylpyrimidine structure
Product Name:5-Bromo-2-ethynylpyrimidine
CAS No:1135283-08-7
MF:C6H3BrN2
MW:183.005419969559
MDL:MFCD11840983
CID:827854
PubChem ID:40148038
Update Time:2025-10-08

5-Bromo-2-ethynylpyrimidine Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2-ethynylpyrimidine
    • bromoethynylpyrimidine
    • 5-Bromo-2-ethynyl-1,3-diazine
    • (5-Bromopyrimidin-2-yl)acetylene
    • 2307AA
    • SBB089982
    • FCH923175
    • AB64558
    • RP10973
    • OR43606
    • AX8196330
    • 2-Bromo-5-ethynyl-pyrazine
    • MDL: MFCD11840983
    • Inchi: 1S/C6H3BrN2/c1-2-6-8-3-5(7)4-9-6/h1,3-4H
    • InChI Key: ZHOLVGVOMDUCDY-UHFFFAOYSA-N
    • SMILES: BrC1=CN=C(C#C)N=C1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 129
  • Topological Polar Surface Area: 25.8

Experimental Properties

  • Density: 1.72±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 127-128°
  • Boiling Point: 295.8±32.0℃ at 760 mmHg
  • Solubility: Very slightly soluble (0.88 g/l) (25 o C),

5-Bromo-2-ethynylpyrimidine Security Information

  • HazardClass:IRRITANT

5-Bromo-2-ethynylpyrimidine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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