Cas no 519059-04-2 (1-(difluoromethoxy)-4-ethynylbenzene)

1-(Difluoromethoxy)-4-ethynylbenzene is a fluorinated aromatic compound featuring both a difluoromethoxy (–OCF?H) and an ethynyl (–C≡CH) functional group. This structure imparts unique reactivity, making it valuable in synthetic organic chemistry, particularly in cross-coupling reactions and as a building block for pharmaceuticals or advanced materials. The difluoromethoxy group enhances metabolic stability and lipophilicity, while the ethynyl moiety allows for further functionalization via Sonogashira or click chemistry. Its balanced electronic properties and modular design make it suitable for applications in medicinal chemistry, agrochemicals, and material science. The compound is typically handled under inert conditions due to the reactivity of the alkyne group.
1-(difluoromethoxy)-4-ethynylbenzene structure
519059-04-2 structure
Product Name:1-(difluoromethoxy)-4-ethynylbenzene
CAS No:519059-04-2
MF:C9H6F2O
MW:168.140149593353
MDL:MFCD03094335
CID:361118
PubChem ID:2778497
Update Time:2025-10-29

1-(difluoromethoxy)-4-ethynylbenzene Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-(difluoromethoxy)-4-ethynyl-
    • 1-(Difluoromethoxy)-4-ethynylbenzene
    • (4-ethynylphenoxy)difluoromethane
    • 4-(Difluoromethoxy)phenylacetylene
    • AC1MCTFG
    • AG-A-68659
    • CTK1G3815
    • PC5954
    • SBB088142
    • 1-difluoromethoxy-4-ethynylbenzene
    • CS-0107245
    • DTXSID80380978
    • A1-06889
    • EN300-1254873
    • AKOS009158242
    • 1-difluoromethoxy-4-ethynyl-benzene
    • MFCD03094335
    • D76714
    • 519059-04-2
    • SCHEMBL2794280
    • F8883-2301
    • 1-(difluoromethoxy)-4-ethynylbenzene
    • MDL： MFCD03094335
    • Inchi： 1S/C9H6F2O/c1-2-7-3-5-8(6-4-7)12-9(10)11/h1,3-6,9H
    • InChI Key： DBBZSMZFFFJZRP-UHFFFAOYSA-N
    • SMILES： FC(OC1C=CC(C#C)=CC=1)F

Computed Properties

  • Exact Mass: 168.03868
  • Monoisotopic Mass: 168.03867113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 174
  • 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: 3.1
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23

1-(difluoromethoxy)-4-ethynylbenzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D136861-100mg
1-(Difluoromethoxy)-4-ethynylbenzene
 519059-04-2
100mg
 $ 50.00 2022-06-05
TRC
D136861-500mg
1-(Difluoromethoxy)-4-ethynylbenzene
 519059-04-2
500mg
 $ 115.00 2022-06-05
TRC
D136861-1g
1-(Difluoromethoxy)-4-ethynylbenzene
 519059-04-2
1g
 $ 160.00 2022-06-05
Apollo Scientific
PC5954-250mg
4-(Difluoromethoxy)phenylacetylene
 519059-04-2 95%
250mg
 ￡125.00 2024-05-25
Apollo Scientific
PC5954-1g
4-(Difluoromethoxy)phenylacetylene
 519059-04-2 95%
1g
 ￡440.00 2024-05-25
abcr
AB231541-250 mg
4-(Difluoromethoxy)phenylacetylene; .
 519059-04-2
250 mg
 €262.50 2023-07-20
abcr
AB231541-1 g
4-(Difluoromethoxy)phenylacetylene; .
 519059-04-2
1 g
 €823.20 2023-07-20
eNovation Chemicals LLC
Y1300295-1g
1-(Difluoromethoxy)-4-ethynylbenzene
 519059-04-2 95%
1g
 $678 2024-07-28
eNovation Chemicals LLC
Y1300295-5g
1-(Difluoromethoxy)-4-ethynylbenzene
 519059-04-2 95%
5g
 $1265 2024-07-28
Enamine
EN300-1254873-0.05g
1-(difluoromethoxy)-4-ethynylbenzene
 519059-04-2 95%
0.05g
 $100.0 2023-07-10

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