3-Fluorobenzoic acid supplier

Name
3-Fluorobenzoic acid
EINECS 207-248-0
CAS No. 455-38-9
Article Data120
CAS DataBase
Density 1.319 g/cm³
Solubility Very soluble in water.
Melting Point 122-124 °C(lit.)
Formula C₇H₅FO₂
Boiling Point 251.1 °C at 760 mmHg
Molecular Weight 140.114
Flash Point 105.7 °C
Transport Information
Appearance white to light yellow crystal powder
Safety 22-28-24/25-37/39-26-36
Risk Codes 37/38-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoic acid, m-fluoro- (8CI);Benzoic acid, m-fluoro-;Benzoic acid, 3-fluoro-;3-fluorobenzoic acid;m-fluorobenzoic acid;
PSA 37.30000
LogP 1.52390

Synthetic route

: 456-48-4
3-Fluorobenzaldehyde

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With potassium ferrate(VI) In neat (no solvent) for 2h; Milling;	98.9%
With oxygen; copper(II) acetate monohydrate; cobalt(II) diacetate tetrahydrate In water at 70℃; under 760.051 Torr; for 12h;	98%
With oxygen; Langlois reagent In acetonitrile at 25℃; under 760.051 Torr; for 12h; Irradiation; Green chemistry;	95%

: 352-70-5
m-Fluorotoluene

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With oxygen; pyridinium chlorochromate In water at 120℃; under 45004.5 Torr; for 2h;	95%
With copper(l) iodide; oxygen; nitric acid at 160℃; under 11251.1 - 18751.9 Torr; for 4.7h; Autoclave;	84.7%
With cerium(III) chloride; 1,1,1-trichloroethanol; oxygen In acetonitrile at 60℃; Irradiation;	83%

: 99-05-8
meta-aminobenzoic acid

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With pyridine hydrogenfluoride; sodium nitrite 1.) O deg C, 20 min, 2.) 80 deg C, 1 h;	95%
With hydrogen fluoride; sodium nitrite
Ueberfuehrung in die Diazoaminoverbindung und Zersetzung mit rauchender Fluorwasserstoffsaeure;
With pyridine; hydrogen fluoride; sodium nitrite 1.) room temperature, 2.) 0 deg C, 3.) 80 deg C; Yield given. Multistep reaction;
Stage #1: meta-aminobenzoic acid With sodium nitrite at 70℃; for 1.5h; Schiemann Aromatic Fluorination; Stage #2: With hydrogen fluoride; boric acid Stage #3: In toluene at 110℃;

: 456-47-3
3-fluoro-benzenemethanol

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With dichloro(1,5-cyclooctadiene)ruthenium(II); C30H30N3P2(1+)*Cl(1-); potassium hydroxide In toluene at 120℃; for 24h; Inert atmosphere; Schlenk technique;	94%
With lithium hydroxide monohydrate; oxygen In water at 25℃; for 12h;	93%
With picoline; tert.-butylhydroperoxide; chlorophyllin coppered trisodium salt In water at 80℃; for 15h; Temperature; chemoselective reaction;	93%

: 3-Fluoro-benzoic acid benzyl ester

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With palladium diacetate; sodium hydride In N,N-dimethyl acetamide at 60℃; for 3h; Inert atmosphere;	94%
With palladium diacetate; sodium hydride In N,N-dimethyl acetamide at 50℃; for 5h; Inert atmosphere;	94%

: 3-fluoro(nitromethyl)benzene

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With water; tetra-(n-butyl)ammonium iodide at 80℃; for 15h; Reagent/catalyst;	91%
With zinc diacetate; water; tetra-(n-butyl)ammonium iodide at 80℃; for 24h;	90%
With tetra-(n-butyl)ammonium iodide; acetic acid In water at 80℃; for 15h; Reagent/catalyst;	84%

: 1041469-36-6
1-(3-fluorophenyl)ethane-1,2-diol

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; potassium tert-butylate In water at 80℃; for 8h;	87%

: 124-38-9
carbon dioxide

: 3-fluorophenyl sulfofluoridate

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With manganese; bis(triphenylphosphine)nickel(II) chloride; 2.9-dimethyl-1,10-phenanthroline In N,N-dimethyl-formamide at 20℃; under 760.051 Torr; for 20h; Schlenk technique; Inert atmosphere; Glovebox;	87%

: 1583-67-1
3-fluorophthalic acid

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With acetic acid; silver carbonate In dimethyl sulfoxide at 120℃; for 16h; regioselective reaction;	86%
With [Au(1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene)(O2CAd)] In toluene at 120℃; regioselective reaction;

: 67-56-1
methanol

: 1073-06-9
3-fluorobromobenzene

: 201230-82-2
carbon monoxide

A: 455-38-9
3-fluorobenzoic acid

B: 455-68-5
methyl 3-fluorobenzoate

Conditions

Conditions	Yield
With tert-Amyl alcohol; sodium hydride; cobalt(II) acetate In tetrahydrofuran at 40℃; under 760 Torr; for 7h; Irradiation;	A 8% B 85%

...Expand

: 6621-75-6
2,4-dimethylthiosemicarbazide

: 1711-07-5
3-fluorobenzoyl chloride

A: 455-38-9
3-fluorobenzoic acid

B: 110623-33-1
5-(3-fluorophenyl)-2,4-dihydro-2,4-dimethyl-3H-1,2,4-triazole-3-thione

Conditions

Conditions	Yield
With sodium hydroxide In water; toluene at 50 - 84℃; for 1.75h; Kinetics; Temperature; Large scale;	A n/a B 85%

...Expand

: 696-39-9
1-ethyl-3-fluorobenzene

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With 1-hydroxy-pyrrolidine-2,5-dione; oxygen; nitric acid at 90℃; under 1500.15 - 6000.6 Torr; for 30h; Autoclave; Green chemistry;	84.13%

: 2561-17-3
1-ethynyl-3-fluoro-benzene

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
Stage #1: 1-ethynyl-3-fluoro-benzene With tert.-butylhydroperoxide; iron(III) chloride hexahydrate; sodium hydroxide In water at 80℃; for 10h; Stage #2: With hydrogenchloride In water at 20℃;	83%
With hydroxylamine hydrochloride; iodine In dimethyl sulfoxide at 100℃; for 8h;	60%

: 1121-86-4
1-Fluoro-3-iodobenzene

: H2O*CHLiO2

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With formic acid; 1,3-bis-(diphenylphosphino)propane; nickel(II) acetate tetrahydrate; acetic anhydride In tetrahydrofuran at 100℃; for 24h; Schlenk technique; Inert atmosphere; Sealed tube;	81%

: 1121-86-4
1-Fluoro-3-iodobenzene

: 6108-23-2
lithium formate monohydrate

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)nickel(0); formic acid; 1,3-bis-(diphenylphosphino)propane; acetic anhydride In tetrahydrofuran at 100℃; for 24h; Schlenk technique; Inert atmosphere;	81%

: 455-37-8
3-fluorobenzamide

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With niobium(V) oxide; water In neat (no solvent) for 24h; Reflux; Inert atmosphere;	80%
With hydrogenchloride In 1,4-dioxane at 90℃; for 3h; Rate constant;

: 2-(3-fluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane

: 124-38-9
carbon dioxide

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
Stage #1: 2-(3-fluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane; carbon dioxide With [Ni(N,N'-bis[2,6-bis(diphenylmethyl)-4-methylphenyl]imidazole-2-ylidene)(allyl)Cl]; potassium tert-butylate In toluene at 100℃; under 760.051 Torr; for 15h; Schlenk technique; Inert atmosphere; Stage #2: With hydrogenchloride In water; ethyl acetate; toluene at 20℃;	78%

: 867-13-0
diethoxyphosphoryl-acetic acid ethyl ester

: 456-48-4
3-Fluorobenzaldehyde

A: 455-38-9
3-fluorobenzoic acid

B: 351-46-2
3-(3-Fluorophenyl)acrylic acid ethyl ester

Conditions

Conditions	Yield
Stage #1: diethoxyphosphoryl-acetic acid ethyl ester; 3-Fluorobenzaldehyde With potassium carbonate for 6h; Horner-Wadsworth-Emmons olefination; Neat (no solvent); high-speed ball milling; Stage #2: With Oxone for 12h; Neat (no solvent); high-speed ball milling; optical yield given as %de; diastereoselective reaction;	A n/a B 77%

...Expand

: 124-38-9
carbon dioxide

: 372-20-3
3-fluorophenol

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
Stage #1: 3-fluorophenol With fluorosulfonyl fluoride; sodium hydride In N,N-dimethyl-formamide for 0.5h; Stage #2: carbon dioxide With manganese; bis(triphenylphosphine)nickel(II) chloride; 2.9-dimethyl-1,10-phenanthroline In N,N-dimethyl-formamide at 20℃; under 760.051 Torr; for 20h; Schlenk technique; Inert atmosphere; Glovebox;	73%

: 124-38-9
carbon dioxide

: 625-98-9
3-chlorofluorobenzene

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With manganese; 2,9-dibutyl-4,7-dimethyl-1,10-phenanthroline; tetraethylammonium iodide; lithium acetate; cobalt(II) bromide In N,N-dimethyl acetamide at 100℃; under 760.051 Torr; for 12h; Inert atmosphere; Schlenk technique;	71%
Stage #1: 3-chlorofluorobenzene With bis(cyclopentadienyl)titanium dichloride; butyl magnesium bromide In tetrahydrofuran at 40℃; for 6h; Inert atmosphere; Schlenk technique; Stage #2: carbon dioxide In tetrahydrofuran at 20℃; for 2h; Inert atmosphere; Schlenk technique;	60%

: 1496-35-1
1-(3-fluorophenyl)cyclohexanol

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With iron(III) chloride; cerium(III) chloride; tetrabutyl-ammonium chloride; oxygen In acetonitrile at 20℃; under 760.051 Torr; for 24h; Schlenk technique; Irradiation;	71%

: 455-36-7
1-(3-fluorophenyl)ethanone

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With copper(l) iodide; hydroxylamine hydrochloride; oxygen In dimethyl sulfoxide at 100℃; for 10h;	65%
With hydroxylamine hydrochloride; iodine In dimethyl sulfoxide at 100℃; for 5h;	64%
With sodium hydroxide; potassium chloride; potassium hexacyanoferrate(III) In methanol; water at 30℃; Kinetics; further temperature;

: 1073-06-9
3-fluorobromobenzene

: 124-38-9
carbon dioxide

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With manganese; 2.9-dimethyl-1,10-phenanthroline; lithium acetate; cobalt(II) bromide In N,N-dimethyl acetamide at 20℃; under 760.051 Torr; for 12h; Inert atmosphere; Schlenk technique;	64%

: 177480-81-8
4-bromo-2-chloro-5-fluorobenzoic acid

A: 455-38-9
3-fluorobenzoic acid

B: 2252-50-8
2-chloro-5-fluoro-benzoic acid

Conditions

Conditions	Yield
With triethanolamine; C33H21IrN3O9S3(3-) In water for 6h; Alkaline conditions; Inert atmosphere; Irradiation;	A 60% B n/a

: 456-47-3
3-fluoro-benzenemethanol

A: 455-38-9
3-fluorobenzoic acid

B: 456-48-4
3-Fluorobenzaldehyde

Conditions

Conditions	Yield
With picoline; tert.-butylhydroperoxide; chlorophyllin coppered trisodium salt In water at 60℃; for 12h; Temperature; chemoselective reaction;	A 35% B 56%

: 124-38-9
carbon dioxide

: 1121-86-4
1-Fluoro-3-iodobenzene

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With copper(l) iodide; N,N,N,N,-tetramethylethylenediamine; diethylzinc In N,N-dimethyl acetamide at 70℃; under 760.051 Torr;	55%
Stage #1: 1-Fluoro-3-iodobenzene With copper In tetrahydrofuran at 25℃; for 0.5h; Stage #2: carbon dioxide In tetrahydrofuran for 24h;	31%
Stage #1: carbon dioxide; 1-Fluoro-3-iodobenzene With tert.-butyl lithium In pentane at -70℃; Inert atmosphere; Stage #2: With sulfuric acid; water In pentane at 20℃; Inert atmosphere;	17%

: potassium cyanide

: 350-46-9
4-Fluoronitrobenzene

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With ethanol In water at 85℃; for 50h; von Richter Aromatic Carboxylation; Ionic liquid;	52%

: 124-38-9
carbon dioxide

: 57606-64-1
3-fluorophenyl 4-methylbenzenesulfonate

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With manganese; (2,2'-bipyridine)nickel(II) dibromide In N,N-dimethyl-formamide at 60℃; under 760.051 Torr;	51%

: tris[2-perfluorohexylethyl]tin-3-benzoic acid

: 455-38-9
3-fluorobenzoic acid

Conditions

Conditions	Yield
With fluorine In FC-72 at -85℃; for 0.583333h;	24%

: 1073-06-9
3-fluorobromobenzene

: 201230-82-2
carbon monoxide

A: 455-38-9
3-fluorobenzoic acid

B: 455-68-5
methyl 3-fluorobenzoate

Conditions

Conditions	Yield
With methanol; tert-Amyl alcohol; sodium hydride; cobalt(II) acetate In tetrahydrofuran at 40℃; under 760 Torr; for 7h; Irradiation;	A 8% B 8%

...Expand

: 455-38-9
3-fluorobenzoic acid

: 1711-07-5
3-fluorobenzoyl chloride

Conditions

Conditions	Yield
Stage #1: 3-fluorobenzoic acid With N,N-dimethyl-formamide In dichloromethane at 0℃; for 0.0833333h; Stage #2: With oxalyl dichloride In dichloromethane at 20℃; for 12h;	100%
With thionyl chloride Heating;	87%
With phosphorus pentachloride

: 455-38-9
3-fluorobenzoic acid

: methyl 2-(4-(1H-pyrazol-1-yl)phenyl)-2-aminoacetate hydrochloride

: methyl 2-(4-(1H-pyrazol-1-yl)phenyl)-2-(3-fluorobenzamido)-acetate

Conditions

Conditions	Yield
With 6-chloro-3-((dimethylamino)(dimethyliminio)methyl)-1H-benzo[d][1,2,3]triazol-3-ium-1-olatehexafluorophosphate(V); N-ethyl-N,N-diisopropylamine In dichloromethane; N,N-dimethyl-formamide at 20℃; for 2.25h;	100%

: 696-62-8
para-iodoanisole

: 455-38-9
3-fluorobenzoic acid

: 4'-fluoro-4,4''-dimethoxy-[1,1':3',1''-terphenyl]-2'-carboxylic acid

Conditions

Conditions	Yield
With C30H54N6Ru(2+)*2BF4(1-); potassium perfluoro-tert-butoxide; potassium carbonate at 140℃; for 24h; Glovebox; Inert atmosphere;	99%

: 455-38-9
3-fluorobenzoic acid

: 2743-40-0
L-leucine ethyl ester hydrochloride

: ethyl (3-fluorobenzoyl)-L-leucinate

Conditions

Conditions	Yield
Stage #1: 3-fluorobenzoic acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 0℃; Stage #2: L-leucine ethyl ester hydrochloride In N,N-dimethyl-formamide at 0 - 20℃;	99%

: 455-38-9
3-fluorobenzoic acid

: 100-46-9
benzylamine

: 671-01-2
N-benzyl-3-fluorobenzamide

Conditions

Conditions	Yield
With borane-ammonia complex In 5,5-dimethyl-1,3-cyclohexadiene for 6h; Reflux;	99%

: 455-38-9
3-fluorobenzoic acid

: 3-chlorodibenzo[b,d]bromol-5-ium methanesulfonate

: 2'-bromo-4-chloro-[1,1'-biphenyl]-2-yl 3-fluorobenzoate

Conditions

Conditions	Yield
With caesium carbonate In dichloromethane at 20℃; for 16h; Inert atmosphere; Schlenk technique;	99%

: 71-23-8
propan-1-ol

: 455-38-9
3-fluorobenzoic acid

: propyl 3-fluorobenzoate

Conditions

Conditions	Yield
With sulfated zirconia at 130℃; for 1h; Catalytic behavior; Temperature; Time; Microwave irradiation;	98.5%

: 120752-10-5, 214534-64-2
bis(dimethylphenylphosphine)tris(pentafluorothiophenolato)osmium(III)

: 455-38-9
3-fluorobenzoic acid

: Os(SC6F5)2(FC6H4COO)(P(CH3)2C6H5)2

Conditions

Conditions	Yield
In acetone (air); shaking (room temp., 48 h); solvent removal (vac.), washing (EtOH), crystn. (acetone-EtOH); elem. anal.;	98%

: 455-38-9
3-fluorobenzoic acid

: 1187890-09-0
N-biphenyl-4-yl-3-oxo-3-piperazin-1-yl-propionamide hydrochloride

: 1187889-62-8
N-biphenyl-4-yl-3-[4-(3-fluoro-benzoyl)-piperazin-1-yl]-3-oxo-propionamide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 10 - 20℃;	98%

: 455-38-9
3-fluorobenzoic acid

: N-methoxy-2-(prop-1-en-2-yl)benzamide

: (2-methoxy-1-methyl-3-oxoisoindolin-1-yl)methyl 3-fluorobenzoate

Conditions

Conditions	Yield
With [2,2]bipyridinyl; oxygen; palladium diacetate In tetrahydrofuran at 60℃; under 760.051 Torr; for 12h; Schlenk technique; Molecular sieve;	98%

: 931-53-3
Cyclohexyl isocyanide

: 455-38-9
3-fluorobenzoic acid

: 1268519-27-2
4-[2,2-bis(trimethylsilyl)ethenyl]benzaldehyde

: (cyclohexylcarbamoyl)(4-(2,2-bis(trimethylsilyl)vinyl)phenyl)methyl 3-fluorobenzoate

Conditions

Conditions	Yield
In water at 20℃; for 1.5h; Passerini Condensation;	98%

...Expand

: 455-38-9
3-fluorobenzoic acid

: 320-98-9
5-fluoro-2-nitrobenzoic acid

Conditions

Conditions	Yield
With sulfuric acid; nitric acid	97%
With sulfuric acid; nitric acid; phosphorus pentoxide at 0℃; for 3h;	95%
With sulfuric acid; nitric acid at 0 - 20℃; for 1h;	93%

: 75-09-2
dichloromethane

: 455-38-9
3-fluorobenzoic acid

: bis(3-fluorobenzoyloxy)methane

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide at 60℃; for 3h;	97%

: 455-38-9
3-fluorobenzoic acid

: (S)-methyl 2-(tert-butoxy)-2-(6-(p-tolyl)-4,7-bis(trifluoromethyl)isoindolin-5-yl)acetate

: (S)-methyl 2-(tert-butoxy)-2-(2-(3-fluorobenzoyl)-6-(p-tolyl)-4,7-bis(trifluoromethyl)isoindolin-5-yl)acetate

Conditions

Conditions	Yield
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine In ethyl acetate for 1h;	97%

: 455-38-9
3-fluorobenzoic acid

: (2S)-ethyl 2-(tert-butoxy)-2-((M)-8-(8-fluoro-5-methylchroman-6-yl)-6,9-dimethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)acetate

: (S)-ethyl 2-(tert-butoxy)-2-((M)-8-(8-fluoro-5-methylchroman-6-yl)-3-(3-fluorobenzoyl)-6,9-dimethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)acetate

Conditions

Conditions	Yield
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine In ethyl acetate at 20℃; for 1.16667h;	96%

: 455-38-9
3-fluorobenzoic acid

: 73789-56-7
N-isocyaniminotriphenylphosphorane

: 431-03-8
dimethylglyoxal

: 1278591-63-1
3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-hydroxybutan-2-one

Conditions

Conditions	Yield
In water at 20 - 26℃; for 12h; Green chemistry;	95%
In dichloromethane at 20℃; for 12.25h; tandem Passerini/intramolecular aza-Wittig reaction;	90%

...Expand

: 39483-51-7
ethyl 2,3,4-tri-O-benzyl-1-thio-α-D-glucopyranoside

: 455-38-9
3-fluorobenzoic acid

: ethyl 2,3,4-tri-O-benzyl-6-O-(3-fluorobenzoyl)-1-thio-α-D-glucopyranoside

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 18h;	95%

: 603-76-9
1-methylindole

: 455-38-9
3-fluorobenzoic acid

: C25H19FN2O2

Conditions

Conditions	Yield
With silver carbonate; palladium dichloride In dimethyl sulfoxide; N,N-dimethyl-formamide at 80℃; for 7h;	95%

: 455-38-9
3-fluorobenzoic acid

: 1-(2-methyl-6-amino-4-phenylquinolin-3-yl)ethanone

: N‑(3‑acetyl‑2‑methyl‑4‑phenylquinolin‑6‑yl)‑3‑fluorobenzamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 1h;	95%

: 501-94-0
p-hydroxyphenethyl alcohol

: 455-38-9
3-fluorobenzoic acid

: 4-hydroxyphenethyl 3-fluorobenzoate

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 48h; Schlenk technique; Inert atmosphere;	95%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 24h;

: 455-38-9
3-fluorobenzoic acid

: dibenzo[b,d]bromol-5-ium methanesulfonate

: 2'-bromo-[1,1'-biphenyl]-3-yl 3-fluorobenzoate

Conditions

Conditions	Yield
With caesium carbonate In dichloromethane at 20℃; for 16h; Inert atmosphere; Schlenk technique;	95%

: 455-38-9
3-fluorobenzoic acid

: 22-(2-aminoethylsulfanyl)-22-deoxypleuromutilin

: 22-(2-(3-fluorobenzoylamino)ethylsulfanyl)-22-deoxypleuromutilin

Conditions

Conditions	Yield
With O‑(6‑chlorobezotriazol‑1‑yl)‑N,N,N,N‑tetramethyluronium hexafluorophosphate; triethylamine In ethyl acetate at 70℃; for 1h;	94.15%

: 455-38-9
3-fluorobenzoic acid

: 62-53-3
aniline

: 1629-09-0
3-fluoro-N-phenylbenzamide

Conditions

Conditions	Yield
With oxygen; lithium hydroxide In water at 20℃; for 14h; Sonication;	94%

: 455-38-9
3-fluorobenzoic acid

: 1-(3-fluoro-4-(piperazine-1-yl)phenyl)butane-1-one

: 1-(3-fluoro-4-(4-(3-fluorobenzoyl)piperazine-1-yl)phenyl)butane-1-one

Conditions

Conditions	Yield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 22h;	94%

: 95-14-7
1,2,3-Benzotriazole

: 455-38-9
3-fluorobenzoic acid

: 670231-03-5
1-(3-fluorobenzoyl)benzotriazole

Conditions

Conditions	Yield
With thionyl chloride In dichloromethane for 2h; Inert atmosphere;	93%
With thionyl chloride In dichloromethane at 20℃;	80%

3-Fluorobenzoic acid Chemical Properties

Molecular Structure:

Molecular Formula: C₇H₅FO₂
Molecular Weight: 140.1118
IUPAC Name: 3-Fluorobenzoic acid
Synonyms of m-Fluorobenzoic acid (CAS NO.455-38-9): 3-Fluorobenzoic acid ; EINECS 207-248-0 ; NSC 10320 ; Benzoic acid, 3-fluoro- ; Benzoic acid, m-fluoro- (8CI)
CAS NO: 455-38-9
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts ; BenzoicAcidDerivative ; Benzoic acid ; Fluorobenzene ; Acids & Esters ; Fluorine Compounds ; C7 ; Carbonyl Compounds ; Carboxylic Acids
Melting point: 122-124 °C
Index of Refraction: 1.537
Molar Refractivity: 33.17 cm³
Molar Volume: 106.1 cm³
Surface Tension: 46 dyne/cm
Density: 1.319 g/cm³
Flash Point: 105.7 °C
Enthalpy of Vaporization: 51.6 kJ/mol
Boiling Point: 251.1 °C at 760 mmHg
Vapour Pressure: 0.0109 mmHg at 25°C

3-Fluorobenzoic acid Uses

m-Fluorobenzoic acid (CAS NO.455-38-9) is used as a intermediate in the fields of organic synthesis,medicine,agricultural chemical and liquid crystal material.

3-Fluorobenzoic acid Safety Profile

Safety Information of m-Fluorobenzoic acid (CAS NO.455-38-9):
Hazard Codes: Xi
Risk Statements: 37/38-36/37/38
37/38: Irritating to respiratory system and skin
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 22-28-24/25-37/39-26-36
22: Do not breathe dust
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
24/25: Avoid contact with skin and eyes
37/39: Wear suitable gloves and eye/face protection
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36 :Wear suitable protective clothing
WGK Germany: 1
Hazard Note: Irritant
TSCA: T
HS Code: 29163900

Product Name

3-Fluorobenzoic acid

Synthetic route

3-Fluorobenzoic acid Chemical Properties

3-Fluorobenzoic acid Uses

3-Fluorobenzoic acid Safety Profile

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