Product Name

  • Name

    3,4,5-Trifluorobenzoic acid

  • EINECS 624-063-4
  • CAS No. 121602-93-5
  • Article Data7
  • CAS DataBase
  • Density 1.536 g/cm3
  • Solubility
  • Melting Point 95-99 °C
  • Formula C7H3F3O2
  • Boiling Point 251.4 °C at 760 mmHg
  • Molecular Weight 176.095
  • Flash Point 105.9 °C
  • Transport Information
  • Appearance white to light yellow crystal powder
  • Safety 26-37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 121602-93-5 (3,4,5-Trifluorobenzoic acid)
  • Hazard Symbols IrritantXi
  • Synonyms 3,4,5-Trifluorobenzoicacid;3,4,5-trifluorobenzoate;
  • PSA 37.30000
  • LogP 1.80210

Synthetic route

carbon dioxide
124-38-9

carbon dioxide

3,4,5-trifluoro-1-bromobenzene
138526-69-9

3,4,5-trifluoro-1-bromobenzene

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
With n-butyllithium In diethyl ether; hexane at -75℃; for 0.25h;93%
Stage #1: 3,4,5-trifluoro-1-bromobenzene With magnesium Metallation;
Stage #2: carbon dioxide Carboxylation; Grignard reaction;
4-Fluorobenzoic acid
456-22-4

4-Fluorobenzoic acid

A

2,3,4,5-tetrafluorobenzoic acid
1201-31-6

2,3,4,5-tetrafluorobenzoic acid

B

3,4-Difluorobenzoic acid
455-86-7

3,4-Difluorobenzoic acid

C

2,4,5-trifluorobenzoic acid
446-17-3

2,4,5-trifluorobenzoic acid

D

2,3,4,-trifluorobenzoic acid
61079-72-9

2,3,4,-trifluorobenzoic acid

E

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

F

2,4-difluoro-benzoic acid
1583-58-0

2,4-difluoro-benzoic acid

Conditions
ConditionsYield
With fluorine In sulfuric acid Product distribution; various substrate to fluorine ratios; also in 98percent HCOOH;
...Expand
Pentafluorobenzoic acid
602-94-8

Pentafluorobenzoic acid

A

2,3,4,5-tetrafluorobenzoic acid
1201-31-6

2,3,4,5-tetrafluorobenzoic acid

B

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
With 1,10-Phenanthroline; nickel dichloride; zinc In water; N,N-dimethyl-formamide at 50℃; for 6h; Product distribution; Further Variations:; Reagents; Temperatures; reaction time; Hydrodefluorination;
1,2,3-trifluorobenzene
1489-53-8

1,2,3-trifluorobenzene

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 91 percent / sec-butyllithium / tetrahydrofuran; cyclohexane / 1.5 h / -75 °C
2: 95 percent / bromine / CCl4 / Heating
3: diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C
4: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C
5: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C
View Scheme
Multi-step reaction with 6 steps
1: 91 percent / sec-butyllithium / tetrahydrofuran; cyclohexane / 1.5 h / -75 °C
2: 95 percent / bromine / CCl4 / Heating
3: 67 percent / diisopropylamine; butyllithium; tetrabromomethane / hexane; tetrahydrofuran / 2 h / -75 °C
4: 92 percent / butylmagnesium chloride; butyllithium / tetrahydrofuran; hexane; toluene / 0.75 h / 0 °C
5: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C
6: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C
View Scheme
Multi-step reaction with 4 steps
1.1: 91 percent / sec-butyllithium / tetrahydrofuran; cyclohexane / 1.5 h / -75 °C
2.1: 95 percent / bromine / CCl4 / Heating
3.1: diisopropylamine; butyllithium / tetrahydrofuran; hexane / 2 h / -75 °C
3.2: 75 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C
4.1: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C
View Scheme
1,2-dibromo-3,4,5-trifluorobenzene
17299-94-4

1,2-dibromo-3,4,5-trifluorobenzene

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C
2: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C
View Scheme
1,5-dibromo-2,3,4-trifluorobenzene
17299-95-5

1,5-dibromo-2,3,4-trifluorobenzene

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C
2: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C
3: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C
View Scheme
Multi-step reaction with 4 steps
1: 67 percent / diisopropylamine; butyllithium; tetrabromomethane / hexane; tetrahydrofuran / 2 h / -75 °C
2: 92 percent / butylmagnesium chloride; butyllithium / tetrahydrofuran; hexane; toluene / 0.75 h / 0 °C
3: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C
4: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C
View Scheme
Multi-step reaction with 2 steps
1.1: diisopropylamine; butyllithium / tetrahydrofuran; hexane / 2 h / -75 °C
1.2: 75 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C
2.1: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C
View Scheme
1,2,3-tribromo-4,5,6-trifluoro-benzene
34628-01-8

1,2,3-tribromo-4,5,6-trifluoro-benzene

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 92 percent / butylmagnesium chloride; butyllithium / tetrahydrofuran; hexane; toluene / 0.75 h / 0 °C
2: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C
3: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C
View Scheme
1-bromo-2,3,4-trifluorobenzene
176317-02-5

1-bromo-2,3,4-trifluorobenzene

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 92 percent / diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C
2: 93 percent / bromine / CCl4 / 36 h / Heating
3: diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C
4: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C
5: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C
View Scheme
Multi-step reaction with 6 steps
1: 92 percent / diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C
2: 93 percent / bromine / CCl4 / 36 h / Heating
3: 67 percent / diisopropylamine; butyllithium; tetrabromomethane / hexane; tetrahydrofuran / 2 h / -75 °C
4: 92 percent / butylmagnesium chloride; butyllithium / tetrahydrofuran; hexane; toluene / 0.75 h / 0 °C
5: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C
6: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C
View Scheme
Multi-step reaction with 4 steps
1.1: 92 percent / diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C
2.1: 93 percent / bromine / CCl4 / 36 h / Heating
3.1: diisopropylamine; butyllithium / tetrahydrofuran; hexane / 2 h / -75 °C
3.2: 75 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C
4.1: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C
View Scheme
(5-bromo-2,3,4-trifluorophenyl)triethylsilane
530145-56-3

(5-bromo-2,3,4-trifluorophenyl)triethylsilane

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 93 percent / bromine / CCl4 / 36 h / Heating
2: diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C
3: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C
4: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C
View Scheme
Multi-step reaction with 5 steps
1: 93 percent / bromine / CCl4 / 36 h / Heating
2: 67 percent / diisopropylamine; butyllithium; tetrabromomethane / hexane; tetrahydrofuran / 2 h / -75 °C
3: 92 percent / butylmagnesium chloride; butyllithium / tetrahydrofuran; hexane; toluene / 0.75 h / 0 °C
4: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C
5: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C
View Scheme
Multi-step reaction with 3 steps
1.1: 93 percent / bromine / CCl4 / 36 h / Heating
2.1: diisopropylamine; butyllithium / tetrahydrofuran; hexane / 2 h / -75 °C
2.2: 75 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C
3.1: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C
View Scheme
2,3,4-trifluoro-1,5-phenylenebis(triethylsilane)
530145-55-2

2,3,4-trifluoro-1,5-phenylenebis(triethylsilane)

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 95 percent / bromine / CCl4 / Heating
2: diisopropylamine; butyllithium / hexane; tetrahydrofuran / 2 h / -75 °C
3: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C
4: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C
View Scheme
Multi-step reaction with 5 steps
1: 95 percent / bromine / CCl4 / Heating
2: 67 percent / diisopropylamine; butyllithium; tetrabromomethane / hexane; tetrahydrofuran / 2 h / -75 °C
3: 92 percent / butylmagnesium chloride; butyllithium / tetrahydrofuran; hexane; toluene / 0.75 h / 0 °C
4: 89 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C
5: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C
View Scheme
Multi-step reaction with 3 steps
1.1: 95 percent / bromine / CCl4 / Heating
2.1: diisopropylamine; butyllithium / tetrahydrofuran; hexane / 2 h / -75 °C
2.2: 75 percent / butyllithium / diethyl ether; hexane / 0.25 h / -100 °C
3.1: 93 percent / butyllithium / diethyl ether; hexane / 0.25 h / -75 °C
View Scheme
3,4,5-trifluoro aniline
163733-96-8

3,4,5-trifluoro aniline

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
2: Mg
View Scheme
3,4,5-trifluorobenzaldehyde

3,4,5-trifluorobenzaldehyde

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
Stage #1: 3,4,5-trifluorobenzaldehyde With potassium permanganate In water; acetone at 20℃; for 6.5h;
Stage #2: With hydrogenchloride; sodium hydrogensulfite In water; acetone
C22H17F3O4

C22H17F3O4

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
In ethanol; dichloromethane at 25℃; Kinetics;
methyl 3,4,5-trifluorobenzoate
773873-72-6

methyl 3,4,5-trifluorobenzoate

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
Stage #1: methyl 3,4,5-trifluorobenzoate With sodium hydroxide In methanol; water for 2h; Reflux;
Stage #2: With hydrogenchloride
di-tert-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

tert-butyl 3,4,5-trifluorobenzoate
863562-09-8

tert-butyl 3,4,5-trifluorobenzoate

Conditions
ConditionsYield
dmap In tert-butyl alcohol at 40℃; for 18h;100%
4,4-difluorocyclohexanol
22419-35-8

4,4-difluorocyclohexanol

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

4-((4,4-difluorocyclohexyl)oxy)-3,5-difluorobenzoic acid

4-((4,4-difluorocyclohexyl)oxy)-3,5-difluorobenzoic acid

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 6h;100%
tri(p-tolyl)antimony
5395-43-7

tri(p-tolyl)antimony

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

(CH3C6H4)3Sb(OCOC6H2F3)2
460752-07-2

(CH3C6H4)3Sb(OCOC6H2F3)2

Conditions
ConditionsYield
With dihydrogen peroxide In diethyl ether; water byproducts: H2O; react. of antimony compd. and acid with aq. H2O2 at room temp. in ether; elem. anal.;99%
triphenylantimony
603-36-1

triphenylantimony

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

(C6H5)3Sb(OCOC6H2F3)2
460752-06-1

(C6H5)3Sb(OCOC6H2F3)2

Conditions
ConditionsYield
With dihydrogen peroxide In diethyl ether; water byproducts: H2O; react. of antimony compd. and acid with aq. H2O2 at room temp. in ether; elem. anal.;99%
tri(p-tolyl)antimony
5395-43-7

tri(p-tolyl)antimony

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

tri-p-tolylantimony bis(3,4,5-trifluorobenzoate)

tri-p-tolylantimony bis(3,4,5-trifluorobenzoate)

Conditions
ConditionsYield
With H2O2 In diethyl ether (C6F3H2)COOH and 30% aq. H2O2 added to soln. of (p-tolyl)3Sb in ether; kept at 20°C for 12 h; crystals filtered off; dried; elem. anal.;99%
triphenylantimony
603-36-1

triphenylantimony

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

triphenylantimony bis(3,4,5-trifluorobenzoate)

triphenylantimony bis(3,4,5-trifluorobenzoate)

Conditions
ConditionsYield
With H2O2 In diethyl ether (C6F3H2)COOH and 30% aq. H2O2 added to soln. of Ph3Sb in ether; kept at 20°C for 12 h; crystals filtered off; dried; elem. anal.;99%
3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

2-(((tert-butyldimethylsilyl)oxy)methyl)-6-hydroxy-2H-pyran-3(6H)-one
359435-59-9

2-(((tert-butyldimethylsilyl)oxy)methyl)-6-hydroxy-2H-pyran-3(6H)-one

6-(((tert-butyldimethylsilyl)oxy)methyl)-5-oxo-5,6-dihydro-2H-pyran-2-yl 3,4,5-trifluorobenzoate

6-(((tert-butyldimethylsilyl)oxy)methyl)-5-oxo-5,6-dihydro-2H-pyran-2-yl 3,4,5-trifluorobenzoate

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0℃; for 1.5h;99%
6-(((tert-butyldimethylsilyl)oxy)methyl)-6-hydroxy-2-methyl-2H-pyran-3(6H)-one

6-(((tert-butyldimethylsilyl)oxy)methyl)-6-hydroxy-2-methyl-2H-pyran-3(6H)-one

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

2-(((tert-butyldimethylsilyl)oxy)methyl)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl3,4,5-trifluorobenzoate

2-(((tert-butyldimethylsilyl)oxy)methyl)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl3,4,5-trifluorobenzoate

Conditions
ConditionsYield
With dmap In dichloromethane at 0℃; for 0.5h; Inert atmosphere;98%
para-xylene
106-42-3

para-xylene

triphenylbismuthane
603-33-8

triphenylbismuthane

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

Bi4(O)2(O2CC6H2F3)8(C6H4(CH3)2)2

Bi4(O)2(O2CC6H2F3)8(C6H4(CH3)2)2

Conditions
ConditionsYield
In xylene mixt. of BiPh3 and 3,4,5-trifluorobenzoic acid in p-xylene stored in sealed tube in air for 16 h at 20°C; elem. anal.;97%
...Expand
triphenylbismuthane
603-33-8

triphenylbismuthane

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

benzene
71-43-2

benzene

Bi4(O)2(O2CC6H2F3)8(C6H6)2

Bi4(O)2(O2CC6H2F3)8(C6H6)2

Conditions
ConditionsYield
In benzene mixt. of BiPh3 and 3,4,5-trifluorobenzoic acid in benzene stored in sealed tube in air for 16 h at 20°C; elem. anal.;95%
...Expand
N-tert-butyl-N'-phenyl-S-phenylisothiourea

N-tert-butyl-N'-phenyl-S-phenylisothiourea

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

3,4,5-trifluoro-N-phenylbenzamide
1274669-24-7

3,4,5-trifluoro-N-phenylbenzamide

Conditions
ConditionsYield
With iron(III)-acetylacetonate In o-xylene at 130℃; for 24h; Microwave irradiation;95%
triphenylbismuthane
603-33-8

triphenylbismuthane

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

tris(3,4,5-trifluorobenzoato)bismuth(III)

tris(3,4,5-trifluorobenzoato)bismuth(III)

Conditions
ConditionsYield
In benzene Reflux;93%
3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

2,6-difluorophenol
28177-48-2

2,6-difluorophenol

Conditions
ConditionsYield
With water; lithium carbonate at 180 - 185℃; for 12h; Sealed tube;92.1%
oxygen
80937-33-3

oxygen

triphenylbismuthane
603-33-8

triphenylbismuthane

toluene
108-88-3

toluene

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

Bi4(O)2(O2CC6H2F3-3,4,5)8*2η6-toluene
727990-94-5

Bi4(O)2(O2CC6H2F3-3,4,5)8*2η6-toluene

Conditions
ConditionsYield
In toluene mixt. of Ph3Bi and 3,4,5-trifluorobenzoic acid in toluene kept in sealedglass tube with air (20°C, 16 h); crystals filtered off; dried;92%
...Expand
penta(p-tolyl)antimony(V)
13328-67-1, 51017-91-5

penta(p-tolyl)antimony(V)

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

tetra(p-tolyl)antimony 3,4,5-trifluorobenzoate
460752-10-7

tetra(p-tolyl)antimony 3,4,5-trifluorobenzoate

Conditions
ConditionsYield
In benzene at 80℃; for 1h; Sealed tube;91%
triphenylbismuthane
603-33-8

triphenylbismuthane

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

phenylbismuth bis(3,4,5-trifluorobenzoate)

phenylbismuth bis(3,4,5-trifluorobenzoate)

Conditions
ConditionsYield
In o-xylene byproducts: C6H6; mixt. of Ph3Bi and 3,4,5-trifluorobenzoic acid (1:2 molar ratio) kept (20°C, 16 h) in sealed glass tube containing atmospheric O2; crystals filtered off; dried; elem. anal.;90%
6-hydroxy-3,6-dihydro-2H-pyran-3-one
35436-57-8

6-hydroxy-3,6-dihydro-2H-pyran-3-one

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

5-oxo-5,6-dihydro-2H-pyran-2-yl 3,4,5-trifluorobenzoate
1638116-03-6

5-oxo-5,6-dihydro-2H-pyran-2-yl 3,4,5-trifluorobenzoate

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0℃; for 1.5h; Inert atmosphere;89%
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0℃; for 1.5h;58%
carbon dioxide
124-38-9

carbon dioxide

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

C8H3F3O4

C8H3F3O4

Conditions
ConditionsYield
Stage #1: 3,4,5-trifluorobenzoic acid With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 3h; Inert atmosphere;
Stage #2: carbon dioxide In tetrahydrofuran; hexane at -78 - 20℃;		89%
3-amino-N-cyclopropyl-4-methylbenzamide
623155-19-1

3-amino-N-cyclopropyl-4-methylbenzamide

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

N-{5-[(cyclopropylamino)carbonyl]-2-methylphenyl}-3,4,5-trifluorobenzamide
857355-27-2

N-{5-[(cyclopropylamino)carbonyl]-2-methylphenyl}-3,4,5-trifluorobenzamide

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In DMF (N,N-dimethyl-formamide) for 16h;88%
3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

benzyl alcohol
100-51-6

benzyl alcohol

4-(benzyloxy)-3,5-difluorobenzoic acid
1408143-67-8

4-(benzyloxy)-3,5-difluorobenzoic acid

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃;88%
2,2,2,-trichloroethoxycarbonyl azide

2,2,2,-trichloroethoxycarbonyl azide

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

2,2,2-trichloroethyl (3,4,5-trifluorophenyl)carbamate

2,2,2-trichloroethyl (3,4,5-trifluorophenyl)carbamate

Conditions
ConditionsYield
With dmap; copper diacetate In acetonitrile at 100℃; for 6h; Schlenk technique; Sealed tube; Inert atmosphere;85%
1-bromo-2-(triisopropylsilyl)acetylene
111409-79-1

1-bromo-2-(triisopropylsilyl)acetylene

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

methyl iodide
74-88-4

methyl iodide

methyl 3,4,5-trifluoro-2,6-bis[(triisopropylsilyl)ethynyl]benzoate

methyl 3,4,5-trifluoro-2,6-bis[(triisopropylsilyl)ethynyl]benzoate

Conditions
ConditionsYield
Stage #1: 1-bromo-2-(triisopropylsilyl)acetylene; 3,4,5-trifluorobenzoic acid With [Ru(O2CMes)2(p-cymene)] In 1,4-dioxane at 120℃; for 16h; Inert atmosphere; Schlenk technique;
Stage #2: methyl iodide With potassium carbonate In 1,4-dioxane; acetonitrile at 50℃; for 2h; Inert atmosphere; Schlenk technique;		84%
...Expand
(3S,4R,5R)-clausenamidone
114376-13-5

(3S,4R,5R)-clausenamidone

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

C26H20F3NO4

C26H20F3NO4

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃;80.1%
1-(diphenylmethyl)-3-hydroxyazetidine
18621-17-5

1-(diphenylmethyl)-3-hydroxyazetidine

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

4-((1-benzhydrylazetidin-3-yl)oxy)-3,5-difluorobenzoic acid

4-((1-benzhydrylazetidin-3-yl)oxy)-3,5-difluorobenzoic acid

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 50℃; for 19h;79%
(4-(9-(4-hydroxyphenyl)nonyl)phenyl 4-cyanobenzoate)

(4-(9-(4-hydroxyphenyl)nonyl)phenyl 4-cyanobenzoate)

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

4-(9-(4-((4-cyanobenzoyl)oxy)phenyl)nonyl)phenyl 3,4,5-trifluorobenzoate

4-(9-(4-((4-cyanobenzoyl)oxy)phenyl)nonyl)phenyl 3,4,5-trifluorobenzoate

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 2h; Inert atmosphere;76%
triphenylbismuthane
603-33-8

triphenylbismuthane

3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

triphenylbismuth bis(3,4,5-trifluorobenzoate)

triphenylbismuth bis(3,4,5-trifluorobenzoate)

Conditions
ConditionsYield
With H2O2 In diethyl ether byproducts: H2O; 3,4,5-trifluorobenzoic acid + 37% H2O2 added to soln. of Ph3Bi (2:1:1); kept (12 h, 20°C); crystals filtered off; dried;74%
3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

3,4,5-trifluoro-2-nitrobenzoic acid
121579-85-9

3,4,5-trifluoro-2-nitrobenzoic acid

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 90℃; for 1h; oil bath;73%
3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

3,4,5-trifluoro-2-iodobenzoic acid

3,4,5-trifluoro-2-iodobenzoic acid

Conditions
ConditionsYield
Stage #1: 3,4,5-trifluorobenzoic acid With n-butyllithium In tetrahydrofuran; hexane at -78 - 0℃; for 3h; Inert atmosphere;
Stage #2: With iodine In tetrahydrofuran; hexane at -78 - 25℃; Inert atmosphere;
Stage #3: With hydrogenchloride In water		72%
Stage #1: 3,4,5-trifluorobenzoic acid With n-butyllithium In tetrahydrofuran at -78℃; for 2.5h;
Stage #2: With iodine In tetrahydrofuran at -78℃; for 0.5h;		65.6%
3,4,5-trifluorobenzoic acid
121602-93-5

3,4,5-trifluorobenzoic acid

1-(2.3.4-Trimethoxybenzoyl)piperazin
93896-51-6

1-(2.3.4-Trimethoxybenzoyl)piperazin

C21H21F3N2O5

C21H21F3N2O5

Conditions
ConditionsYield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 4h;70%

3,4,5-Trifluorobenzoic acid Chemical Properties

Molecular Formula:C7H3F3O2
Molar mass:176.09273g/mol
Structure :
                
Synonyms :3,4,5-Trifluorobenzoic;3-flurobenzenenitrile
Density:1.536 g/cm3                
Flash Point:105.9 °C                 
Boiling Point:251.4 °C at 760 mmHg                
Index of Refraction:1.49                 
Vapour Pressure:0.0107 mmHg at 25°C                
Melting point:97-99 °C(lit.)
Appearance:white to light yellow crystal powder

3,4,5-Trifluorobenzoic acid Uses

3,4,5-Trifluorobenzoic acid(121602-93-5) can be used as  intermediates of medicine, pesticide and liquid crystal.

3,4,5-Trifluorobenzoic acid Toxicity Data With Reference

Carcinogenicity:3,4,5-Trifluorobenzoic acid(121602-93-5) hasn't been listed as a carcinogen by  NTP, IARC,ACGIH, or CA Prop 65.

3,4,5-Trifluorobenzoic acid Safety Profile

Hazard Codes:Xi
Risk Statements:
36:  Irritating to the eyes
37:  Irritating to the respiratory system
38:  Irritating to the skin
Safety Statements:
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:  Wear suitable protective clothing 
37:  Wear suitable gloves
39:  Wear eye/face protection

3,4,5-Trifluorobenzoic acid Specification

Stability and Reactivity of 3,4,5-Trifluorobenzoic acid(121602-93-5):
Conditions to Avoid:Incompatible materials.  
Incompatibilities with Other Materials: Strong acids, strong bases, strong reducing agents, strong oxidizing agents.
Hazardous Decomposition Products:Carbon dioxide, hydrogen fluoride gas, carbon monoxide.

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