Pentafluorobenzoic acid

CAS Number 602-94-8

Chemistry Building Blocks, Fluorinated Building Blocks, Monomers, Non-Heterocyclic Building Blocks

A perfluorinated benzoic acid building block

Forms organometallic complexes for catalysts and APIs

Overview
Related Products

Pentafluorobenzoic acid (CAS number 602-94-8), also known as perfluorobenzoic acid, is a benzoic acid compound that is fully substituted with five fluorine groups on the benzene ring. Being a perfluorinated compound, pentafluorobenzoic acid is considered to be electron deficient. It finds application in the exploration of the reaction mechanism involved in indolyl 1,3-heteroatom transposition reactions.

Pentafluorobenzoic acid can coordinate to metal centres, forming organometallic complexes. It acts as a bidentate ligand for the preparation of 2D coordination polymers with copper and fullerene. Density functional theory (DFT) calculation reveals that a pentafluorobenzoic acid-copper(I)-fullerene complex possesses a narrow bandgap of 0.95 eV. Additionally, by taking the advantage of the electron deficiency, pentafluorobenzoic acid is utilized for the study of the π-stacking interaction in titanium salalen catalysts.

Multiple functional groups

For facile synthesis

Fluorinated benzoic acid building block

for drug discovery, organometallic complexes, and organic synthesis

Low Cost

Competitively priced, high quality product

High purity

>98% High purity

General Information

CAS Number	602-94-8
Chemical Formula	C₇HF₅O₂
Full Name	Pentafluorobenzoic acid
Molecular Weight	212.08 g/mol
Synonyms	Perfluorobenzoic acid
Classification / Family	Fluorinated building blocks, Benzoic acid building blocks, Catalysts, Organometallic complexes, Organic synthesis, APIs

Chemical Structure

Product Details

Purity	98%
Melting Point	T_m = 100 °C – 102 °C
Appearance	White powder

MSDS Documentation

Pentafluorobenzoic acid MSDS Sheet

Literature and Reviews

Titanium salalen catalyzed enantioselective benzylic hydroxylation, C. Wartmann et al., Angew. Chem. Int. Ed., 62, e202306584 (2023); DOI: 10.1002/anie.202306584.
Mechanistic duality of indolyl 1,3-heteroatom transposition, Y. Lee et al., Chem. Sci., 14, 7688 (2023); DOI: 10.1039/d3sc00716b.
Protonation behavior of a tetrahydrido molybdenum(IV) complex with organic and inorganic acids, N. Queyriaux et al., Eur. J. Inorg. Chem., 26, e202300426 (2023); DOI: 10.1002/ejic.20230042.
2D coordination sheets based on tetranuclear cuprofullerene pentafluorobenzoate and their electronic properties, Y. -L. Liu et al., Inorg. Chem. Front., 10, 1731 (2023); DOI: 10.1039/d2qi02641d.
Synthesis, structural characterization, and DNA binding/cleavage studies of diorganotin(IV) carboxylates and their complexes with 1,10-phenanthroline: X-ray structures of [Me₈Sn₄(p-FC₆H₄CO₂)₄O₂], [Bu₂Sn(p-NO₂C₆H₄CO₂)₂.phen], and DFT studies, P. Kumar et al., J. Mol. Struct., 1300, 137250 (2024); DOI: 10.1016/j.molstruc.2023.137250.

Related Products

We stock a wide range of fluorinated buidling blocks available to purchase online. Please contact us if you cannot find what you are looking for.

Potassium nonafluoro-1-butanesulfonate

From £50

2-Fluorobiphenyl

From £40

2,4,5-Trifluorophenylacetic acid

From £40

4-Fluoro-1,2-phenylenediamine

From £35

5-Fluorobenzoxazole-2-thiol

From £45

5-Bromo-3-fluoropyridine-2-carboxylic acid

From £55

7-Fluoro-4-hydroxycoumarin

From £50

2-Amino-5-chloro-3-fluoropyridine

From £40

5-Fluoro-2-methylbenzoic acid

From £45

5-Bromo-4-fluoro-2-methylaniline

From £60

3′-Bromo-4′-fluoroacetophenone

From £35

3-Fluoro-5-(trifluoromethyl)benzoic acid

From £30

5-Chloro-2-fluorobenzonitrile

From £40

2-Fluoro-6-methylbenzoic acid

From £33

4′-Fluoro-3′-nitroacetophenone

From £35

4-Fluoro-3-methylbenzoic acid

From £50

1,3,5-Tris(3-fluoro-4-formylphenyl)benzene

£80
From £40

5-Chloro-2-fluorobenzoic acid

From £50

2-Fluoro-5-methylbenzoic acid

From £50

trans-3,4-Difluorocinnamic acid

From £50

4-Fluoro-2-iodobenzoic acid

From £35

3-Fluoro-4-iodopyridine

From £50

2-Chloro-5-fluoronitrobenzene

From £45

4-Bromo-3-fluorobenzonitrile

From £50

3-Bromo-5-fluorophenol

From £33

4-Bromo-3-fluoroiodobenzene

From £35

5-Difluoromethoxy-2-mercaptobenzimidazole

From £65

6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline

From £95

4-Bromo-6-fluoroquinoline

From £95

4-Amino-2-(trifluoromethyl)pyridine

From £50

1-(3-Fluorophenyl)-1H-pyrazole-4-carbaldehyde

From £70

Methyl 6-fluoropyridine-2-carboxylate

From £85

4-Hydroxy-2-(trifluoromethyl)benzoic acid

From £65

5-Bromo-2-fluoropyrimidine

From £60

3-Chloro-5-fluoroaniline

From £65

6-Fluoropyridine-2-carbonitrile

From £80

4-Fluoro-4′-methoxybenzophenone

From £90

2,4,6-Trifluorophenylacetic acid

From £90

2,3,5,6-Tetrafluoro-4-hydroxybenzoic acid

From £80

2-Fluoropyridine-3-carbonitrile

From £90

2-Bromo-5-fluorobenzonitrile

From £60

1-Bromo-2-chloro-4-fluorobenzene

From £70

2-Fluoro-4-(trifluoromethyl)benzoic acid

From £100

3-Fluoro-4-methoxybenzoic acid

From £90

4-Methoxy-3-(trifluoromethyl)aniline

From £90

4-Fluoro-2-methylbenzonitrile

From £90

3-Fluoro-4-(trifluoromethyl)benzoic acid

From £90

3,5-Difluoropyridine-2-carbonitrile

From £90

5-Cyano-2-fluoropyridine

From £90

2,6-Difluorocinnamic aldehyde

From £90

2-Fluoro-4-hydroxybenzoic acid

From £90

3-Chloro-2-fluorobenzoic acid

From £75

2-Fluoro-3-methoxybenzaldehyde

From £137

3-Fluorobenzoic hydrazide

From £100

2-Amino-5-fluorobenzonitrile

From £80

4-Fluoro-2-methylphenol

From £60

2,4,5-Trifluorobenzonitrile

From £80

4-Chloro-3-fluoroaniline

From £50

2-Fluoro-4-nitroaniline

From £70

3-Fluoro-2-methylbenzoic acid

From £90

2-Amino-6-fluorobenzonitrile

From £90

3-Fluoro-p-anisidine

From £90

3′-Fluoro-4′-methoxyacetophenone

Price £90

2-Bromo-4-fluorobenzonitrile

From £80

3-Fluoro-2-pyridinecarbonitrile

From £70

2-Amino-3-fluoropyridine

From £80

3-Fluoro-4-hydroxybenzaldehyde

From £80

α,α-Difluorophenylacetic acid

From £70

3,3-Difluoropiperidine hydrochloride

From £60

2,2-Difluorocyclopropanecarboxylic acid

From £90

4-Fluoro-β-nitrostyrene

From £90

2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile

From £90

2-Fluoro-4-(trifluoromethyl)aniline

From £90

N-Boc-4,4-difluoro-L-proline

From £70

3,4,5-Trifluorobenzoic acid

From £90

2-Bromo-3′-fluoroacetophenone

From £116

4-Fluororesorcinol

From £70

3,4,5-Trifluoroaniline

From £55

4-Fluorobenzenesulfonamide

From £65

2-Fluoro-5-nitrobenzoic acid

From £65

1-Bis(4-fluorophenyl)methyl piperazine

From £80

3,5-Difluorobenzonitrile

From £65

6-Fluoronicotinic acid

From £76

2-Bromo-4-fluoropyridine

From £125

3-Fluoro-2-hydroxybenzaldehyde

From £110

2-Chloro-5-fluoropyrimidine

From £100

2-Bromo-6-fluorobenzaldehyde

From £100

2-Fluoro-5-nitrobenzonitrile

From £72

Bis(4-fluorophenyl)methanol

From £105

N-Boc-trans-4-fluoro-L-proline

From £76

(S)-(+)-3-Fluoropyrrolidine hydrochloride

From £80

Methyl pentafluorobenzoate

From £76

5-Fluorosalicylic acid

From £110

(R)-(−)-3-Fluoropyrrolidine hydrochloride

From £72

4-Bromo-2,6-difluoroaniline

From £76

2-Fluoroadenine

From £90

3,3-Difluoropyrrolidine hydrochloride

From £110

4-Fluoro-3-nitrobenzoic acid

From £66

2-Amino-4-fluorophenol

From £56

2,4-Difluorobenzonitrile

From £66

2,4-Difluoro-(1H-1,2,4-triazolyl)acetophenone

From £100

4,4′-Bis(trifluoromethyl)-2,2′-bipyridine

From £100

5-Bromo-2-fluoropyridine

From £105

1-(tert-Butoxycarbonyl)-3-fluoro-4-piperidone

From £90

6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride

From £80

7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid

From £115

3-Fluoro-4-morpholinoaniline

From £100

Benzyl (3-Fluoro-4-morpholinophenyl)carbamate

From £100

5-Fluoroisatin

From £76

5-Fluorooxindole

From £200

5-(Trifluoromethoxy)isatin

From £115

6-Fluoroindole-2-carboxylic acid

From £105

6-Fluoroindole

From £80

5-Fluoroindole

From £100

7-Fluoroindole

From £170

3-(4-Fluorophenyl)-1-isopropylindole

From £100

4-Fluoroindole

From £100

4-(Trifluoromethyl)-1H-imidazole

From £165

1-[2-(Trifluoromethyl)phenyl]imidazole

From £175

3-(Trifluoromethyl)-2-pyridone

From £100

5-(Trifluoromethyl)-2-pyridone

From £100

2-(Trifluoromethyl)thioxanthen-9-one

Price £95

2-Furoyltrifluoroacetone

From £100

7-(Diethylamino)-4-(trifluoromethyl)coumarin

From £110

7-Hydroxy-4-(trifluoromethyl)coumarin

From £56

2-Fluoro-9H-carbazole

From £135

AB-TFMB

£90
From £90

p-6FDAP

£110
From £110

2,2-Bis(3-(3-aminobenzoylamino)-4-hydroxyphenyl)hexafluoropropane (m-6FDAP)

£130
From £130

2,2'-Bis(trifluoromethyl)-4,4'-diaminodiphenyl ether (6FODA)

£76
From £76

2,2-Bis[4-(4-aminophenoxy)phenyl]hexafluoropropane (4-BDAF)

£76
From £76

1,4-Bis(4-amino-2-trifluoromethylphenoxy)benzene (6FAPB)

£76
From £38

4,4'-(Hexafluoroisopropylidene)diphthalic anhydride (6FDA)

£90
From £90

2,2'-Bis(trifluoromethyl)benzidine (TFMB)

£76
From £76

2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane (6FAP)

£76
From £38

2-(2,4-Difluorophenyl)-5-fluoropyridine

From £105

2-(2,4-Difluorophenyl)-5-methylpyridine

From £130

4-Chloro-7-trifluoromethylquinoline-3-carboxylic acid ethyl ester

From £145

4-Bromo-8-fluoroquinoline

From £135

6-Chloro-8-fluoroquinoline

From £80

8-Fluoro-4-hydroxy-2-methylquinoline

From £95

(5S)-(−)-5-(Trifluoromethyl)-2-pyrrolidinone

From £145

2,4,6-Trifluoronitrobenzene

From £74

Ethyl (4-fluorobenzoyl)acetate

From £110

5-Bromo-3-fluorosalicylaldehyde

From £110

6-Fluoro-4-chromanone

From £120

2-(Difluoromethyl)benzimidazole

From £115

3,3-Difluoroazetidine hydrochloride

Price £170

4-(Trifluoromethyl)-2-pyridone

From £72

4-Fluoro-1H-indazole

From £72

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline

From £115

5,5'-Bis(trifluoromethyl)-2,2'-bipyridine

From £210

5,5'-dibromo-3,3'-difluoro-2,2'-bithiophene

From £250

2-Bromo-6-fluoronaphthalene

From £130

FIC

From £220

HDOQx-DBrDF

From £520

MeHDOQx-DBrDF

From £520

2FIC

From £360

BDTT-F-Sn

From £500

DFBTA-2ThBr-HD

From £310

3,3'-Difluoro-5,5'-bis(trimethylstannyl)-2,2'-bithiophene

From £280

2-Ethylhexyl 4,6-dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate

From £260

4,7-Dibromo-5,6-difluoro-2,1,3-benzothiadiazole

From £210

PCE11 Monomer

From £480