Cas no 36650-04-1 (pentafluorobenzene-1-sulfonyl fluoride)

Pentafluorobenzene-1-sulfonyl fluoride is a highly reactive sulfonyl fluoride derivative characterized by its pentafluorophenyl group. This compound is widely utilized as a versatile electrophile in organic synthesis, particularly in click chemistry and SuFEx (Sulfur Fluoride Exchange) reactions. Its strong electron-withdrawing substituents enhance reactivity, enabling efficient conjugation with nucleophiles such as amines and alcohols. The compound’s stability under ambient conditions and selective reactivity make it valuable for bioconjugation, materials science, and pharmaceutical applications. Additionally, its fluorine-rich structure contributes to improved metabolic stability in bioactive molecules. Pentafluorobenzene-1-sulfonyl fluoride is commonly employed in the development of covalent inhibitors and functionalized polymers.

pentafluorobenzene-1-sulfonyl fluoride structure

36650-04-1 structure

Product Name:pentafluorobenzene-1-sulfonyl fluoride

CAS No:36650-04-1

MF:C₆F₆O₂S

MW:250.118421554565

MDL:MFCD28968709

CID:1479647

PubChem ID:11807055

Update Time:2025-10-13

pentafluorobenzene-1-sulfonyl fluoride Chemical and Physical Properties

Names and Identifiers

- Benzenesulfonyl fluoride, pentafluoro-
- 2,3,4,5,6-pentafluorobenzenesulfonyl fluoride
- pentafluorobenzene-1-sulfonyl fluoride
- 36650-04-1
- AKOS037478221
- pentafluorobenzenesulfonyl fluoride
- SCHEMBL2477379
- EN300-224428
- DTXSID30473203
- IIIRAVUZGLMAHO-UHFFFAOYSA-N
- AT32410
- MDL： MFCD28968709
- Inchi： 1S/C6F6O2S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9
- InChI Key： IIIRAVUZGLMAHO-UHFFFAOYSA-N
- SMILES： S(C1C(=C(C(=C(C=1F)F)F)F)F)(=O)(=O)F

Computed Properties

Exact Mass: 249.9523
Monoisotopic Mass: 249.95231938g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 8
Heavy Atom Count: 15
Rotatable Bond Count: 1
Complexity: 311
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: 1.6
Topological Polar Surface Area: 42.5?2

Experimental Properties

PSA: 34.14

pentafluorobenzene-1-sulfonyl fluoride Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Enamine	EN300-224428-0.05g	pentafluorobenzene-1-sulfonyl fluoride	36650-04-1	95%	0.05g	$359.0	2024-06-20
Enamine	EN300-224428-0.1g	pentafluorobenzene-1-sulfonyl fluoride	36650-04-1	95%	0.1g	$376.0	2024-06-20
Enamine	EN300-224428-0.25g	pentafluorobenzene-1-sulfonyl fluoride	36650-04-1	95%	0.25g	$393.0	2024-06-20
Enamine	EN300-224428-0.5g	pentafluorobenzene-1-sulfonyl fluoride	36650-04-1	95%	0.5g	$410.0	2024-06-20
Enamine	EN300-224428-1.0g	pentafluorobenzene-1-sulfonyl fluoride	36650-04-1	95%	1.0g	$428.0	2024-06-20
Enamine	EN300-224428-2.5g	pentafluorobenzene-1-sulfonyl fluoride	36650-04-1	95%	2.5g	$838.0	2024-06-20
Enamine	EN300-224428-5.0g	pentafluorobenzene-1-sulfonyl fluoride	36650-04-1	95%	5.0g	$1240.0	2024-06-20
Enamine	EN300-224428-10.0g	pentafluorobenzene-1-sulfonyl fluoride	36650-04-1	95%	10.0g	$1839.0	2024-06-20
Enamine	EN300-224428-1g	pentafluorobenzene-1-sulfonyl fluoride	36650-04-1		1g	$428.0	2023-09-15
Enamine	EN300-224428-5g	pentafluorobenzene-1-sulfonyl fluoride	36650-04-1		5g	$1240.0	2023-09-15