Cas no 1204298-62-3 (8-(Difluoromethyl)isoquinoline)

8-(Difluoromethyl)isoquinoline is a fluorinated isoquinoline derivative characterized by the presence of a difluoromethyl group at the 8-position. This structural feature enhances its utility as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The difluoromethyl group imparts improved metabolic stability and lipophilicity, making it valuable for the development of bioactive compounds. Its reactivity allows for further functionalization, enabling the construction of complex molecular architectures. The compound is typically handled under inert conditions due to its sensitivity to moisture and air. High-purity grades are available for research and industrial use, ensuring consistent performance in synthetic workflows.
8-(Difluoromethyl)isoquinoline structure
1204298-62-3 structure
Product Name:8-(Difluoromethyl)isoquinoline
CAS No:1204298-62-3
MF:C10H7F2N
MW:179.166089296341
CID:2197532
PubChem ID:53421199
Update Time:2025-10-07

8-(Difluoromethyl)isoquinoline Chemical and Physical Properties

Names and Identifiers

    • 8-(Difluoromethyl)isoquinoline
    • 1204298-62-3
    • DB-333803
    • Inchi: 1S/C10H7F2N/c11-10(12)8-3-1-2-7-4-5-13-6-9(7)8/h1-6,10H
    • InChI Key: UHXOFHISZHOFIP-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=C2C=CN=CC=12)F

Computed Properties

  • Exact Mass: 179.05465555Da
  • Monoisotopic Mass: 179.05465555Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 172
  • 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: 2.7
  • Topological Polar Surface Area: 12.9?2

8-(Difluoromethyl)isoquinoline Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D198175-50mg
8-(Difluoromethyl)isoquinoline
1204298-62-3
50mg
$ 640.00 2022-06-05
TRC
D198175-100mg
8-(Difluoromethyl)isoquinoline
1204298-62-3
100mg
$ 1065.00 2022-06-05
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