CAS 375-72-4|Perfluorobutanesulphonyl fluoride 95%|Nonafluorobutanesulphonyl fluoride|nonafluorobutane-1-sulfonyl fluoride|nonafluorobutane-1-sulfonyl fluoride|Perfluoro-1-butanesulfonyl fluoride|九...

General Information

Structure

Molecular Formula

C₄F₁₀O₂S

Molecular Mass

302.090632

Exact Mass

301.94593244

Charge

InChI

InChI=1S/C4F10O2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16

InChIKey

LUYQYZLEHLTPBH-UHFFFAOYSA-N

Canonic Smiles

FC(C(C(S(=O)(=O)F)(F)F)(F)F)(C(F)(F)F)F

Isomeric Smiles

FC(C(F)(C(F)(F)C(F)(F)S(=O)(=O)F)F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.1050642

LogD (pH = 7.4)

3.1050642

Log P

3.1050642

Molar Refractivity

31.2436

Polarizability

12.803546

Polar Surface Area

34.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Perfluorobutanesulphonyl fluoride 95%Nonafluorobutanesulphonyl fluoridePerfluoro-1-butanesulfonyl fluorideNonafluoro-1-butanesulfonyl fluoride九氟丁烷磺酰氟Perfluoro-1-butanesulfonyl fluoride全氟丁烷磺酰氟Nonaflyl fluoride全氟丁基磺酰氟Perfluorobutanesulfonyl fluorideNonafluorobutanesulfonyl fluoride

IUPAC Traditional name

nonafluorobutane-1-sulfonyl fluoride

IUPAC name

nonafluorobutane-1-sulfonyl fluoride

Names and Identifiers

Registration numbers

CAS Number

375-72-4

MDL Number

MFCD00007422

PubChem SID

1620850172485918424888919

PubChem CID

67814

EC Number

206-792-6

Beilstein Number

1813589

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

319732

Packaging
25, 100 g in poly bottle

87583

Application
protecting group for organic synthesis

Molecule Details

References

PubChem Literature

From Data Sources

• Reagent for formation of nonafluorobutanesulfonates (nonaflates) of OH groups (compare Trifluoromethanesulfonic anhydride, A11767), e.g. with triethylamine in ether: Synthesis, 293 (1973); Liebigs Ann. Chem., 20 (1973).

• Nonaflates of phenols, which are stable to flash chromatography, are attractive precursors for coupling reactions, with alkyl- and arylzinc halides, arylboronic acids (Suzuki) and arylstannanes (Stille), catalyzed by Pd(0) under mild conditions: J. Org. Chem., 63, 203 (1998). Silyl enol ethers, with catalytic TBAF in the presence of molecular sieves, are converted to enol nonaflates which undergo Heck couplings, e.g with styrenes to give 1,3-dienes: Synlett, 1141 (1997).

References

Bioactivity

PubChem BioAssay

Bioactivity