Cas no 69442-35-9 (3-ethynyl-1,2,4,5-tetrafluorobenzene)

3-Ethynyl-1,2,4,5-tetrafluorobenzene is a fluorinated aromatic compound featuring an ethynyl substituent, offering unique reactivity and structural properties. Its tetrafluorinated benzene core enhances electron-withdrawing characteristics, making it valuable in cross-coupling reactions, such as Sonogashira or Suzuki couplings, for synthesizing advanced organic materials. The ethynyl group provides a versatile handle for further functionalization, enabling applications in pharmaceuticals, agrochemicals, and materials science. The high degree of fluorination contributes to improved thermal and chemical stability, as well as potential utility in liquid crystal or electronic material development. This compound is particularly useful in precision organic synthesis where controlled reactivity and robust intermediates are required.

3-ethynyl-1,2,4,5-tetrafluorobenzene structure

69442-35-9 structure

Product Name:3-ethynyl-1,2,4,5-tetrafluorobenzene

CAS No:69442-35-9

MF:C₈H₂F₄

MW:174.095096111298

CID:973730

PubChem ID:23272705

Update Time:2025-05-27

3-ethynyl-1,2,4,5-tetrafluorobenzene Chemical and Physical Properties

Names and Identifiers

- 3-ethynyl-1,2,4,5-tetrafluoro-benzene
- 3-ethynyl-1,2,4,5-tetrafluorobenzene
- DTXSID00632148
- 69442-35-9
- AKOS006237862
- SCHEMBL15244477
- EN300-1841619
- Inchi： 1S/C8H2F4/c1-2-4-7(11)5(9)3-6(10)8(4)12/h1,3H
- InChI Key： DPTRVEJPVFKIHN-UHFFFAOYSA-N
- SMILES： FC1C(=CC(=C(C=1C#C)F)F)F

Computed Properties

Exact Mass: 174.00900
Monoisotopic Mass: 174.00926271g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 12
Rotatable Bond Count: 1
Complexity: 192
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: 2.6
Topological Polar Surface Area: 0?2

Experimental Properties

Density: 1.372
Boiling Point: 147.82°C at 760 mmHg
Flash Point: 53.5°C
Refractive Index: 1.452
PSA: 0.00000
LogP: 2.22430

3-ethynyl-1,2,4,5-tetrafluorobenzene Pricemore >>

Related Categories	No.	Product Name	Cas No.	Specification	Price	update time
Enamine	EN300-1841619-0.05g	3-ethynyl-1,2,4,5-tetrafluorobenzene	69442-35-9	0.05g	$647.0	2023-09-19
Enamine	EN300-1841619-0.1g	3-ethynyl-1,2,4,5-tetrafluorobenzene	69442-35-9	0.1g	$678.0	2023-09-19
Enamine	EN300-1841619-0.25g	3-ethynyl-1,2,4,5-tetrafluorobenzene	69442-35-9	0.25g	$708.0	2023-09-19
Enamine	EN300-1841619-0.5g	3-ethynyl-1,2,4,5-tetrafluorobenzene	69442-35-9	0.5g	$739.0	2023-09-19
Enamine	EN300-1841619-1.0g	3-ethynyl-1,2,4,5-tetrafluorobenzene	69442-35-9	1g	$1014.0	2023-05-26
Enamine	EN300-1841619-2.5g	3-ethynyl-1,2,4,5-tetrafluorobenzene	69442-35-9	2.5g	$1509.0	2023-09-19
Enamine	EN300-1841619-5.0g	3-ethynyl-1,2,4,5-tetrafluorobenzene	69442-35-9	5g	$2940.0	2023-05-26
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