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Trifluoromethylbenzenes

Organic compounds that consist of a phenyl group bonded to a carbon that is bonded to three fluorine atoms in the following structure: C6H5CF3; also known as benzotrifluoride.

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1

Chlorobis[4-(trifluoromethyl)phenyl]phosphine, 97%

CAS: 13685-24-0 Molecular Formula: C14H8ClF6P Molecular Weight (g/mol): 356.632 MDL Number: MFCD04972304 InChI Key: PBLUOOURLNAOAJ-UHFFFAOYSA-N Synonym: bis 4-trifluoromethylphenyl chlorophosphine,chlorobis 4-trifluoromethyl phenyl phosphine,bis 4-trifluoromethyl phenyl chlorophosphine,chlorobis 4-trifluoromethyl phenyl phosphane,acmc-20alnb,chloro-bis 4-trifluoromethyl phenyl phosphane PubChem CID: 4379933 IUPAC Name: chloro-bis[4-(trifluoromethyl)phenyl]phosphane SMILES: C1=CC(=CC=C1C(F)(F)F)P(C2=CC=C(C=C2)C(F)(F)F)Cl

PubChem CID 4379933
CAS 13685-24-0
Molecular Weight (g/mol) 356.632
MDL Number MFCD04972304
SMILES C1=CC(=CC=C1C(F)(F)F)P(C2=CC=C(C=C2)C(F)(F)F)Cl
Synonym bis 4-trifluoromethylphenyl chlorophosphine,chlorobis 4-trifluoromethyl phenyl phosphine,bis 4-trifluoromethyl phenyl chlorophosphine,chlorobis 4-trifluoromethyl phenyl phosphane,acmc-20alnb,chloro-bis 4-trifluoromethyl phenyl phosphane
IUPAC Name chloro-bis[4-(trifluoromethyl)phenyl]phosphane
InChI Key PBLUOOURLNAOAJ-UHFFFAOYSA-N
Molecular Formula C14H8ClF6P
2

3-(Trifluoromethyl)phenyltrimethylammonium hydroxide, 5% w/v in methanol

CAS: 68254-41-1 Molecular Formula: C10H14F3NO Molecular Weight (g/mol): 221.223 MDL Number: MFCD00059473 InChI Key: BFPOZPZYPNVMHU-UHFFFAOYSA-M Synonym: 3-trifluoromethyl phenyltrimethylammonium hydroxide,m-tfptah,trifluoromethylphenyltrimethylammoniumhydroxide,3-trifluoromethyl phenyltrimethylammonium hydroxide in methanol,n,n,n-trimethyl-3-trifluoromethyl anilinium hydroxide,trimethyl-3-trifluoromethyl phenyl azanium hydroxide,m-trifluoromethylphenyl trimethylammonium hydroxide,trimethyl-3-trifluoromethylphenylammonium hydroxide,n,n,n-trimethyl-3-trifluoromethyl anilinium oxidanide,trimethyl-alpha,alpha,alpha-trifluoro-m-tolylammonium hydroxide PubChem CID: 2760772 IUPAC Name: trimethyl-[3-(trifluoromethyl)phenyl]azanium;hydroxide SMILES: C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F.[OH-]

PubChem CID 2760772
CAS 68254-41-1
Molecular Weight (g/mol) 221.223
MDL Number MFCD00059473
SMILES C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F.[OH-]
Synonym 3-trifluoromethyl phenyltrimethylammonium hydroxide,m-tfptah,trifluoromethylphenyltrimethylammoniumhydroxide,3-trifluoromethyl phenyltrimethylammonium hydroxide in methanol,n,n,n-trimethyl-3-trifluoromethyl anilinium hydroxide,trimethyl-3-trifluoromethyl phenyl azanium hydroxide,m-trifluoromethylphenyl trimethylammonium hydroxide,trimethyl-3-trifluoromethylphenylammonium hydroxide,n,n,n-trimethyl-3-trifluoromethyl anilinium oxidanide,trimethyl-alpha,alpha,alpha-trifluoro-m-tolylammonium hydroxide
IUPAC Name trimethyl-[3-(trifluoromethyl)phenyl]azanium;hydroxide
InChI Key BFPOZPZYPNVMHU-UHFFFAOYSA-M
Molecular Formula C10H14F3NO
4

2-Fluoro-4-(trifluoromethyl)benzonitrile, 98%

CAS: 146070-34-0 Molecular Formula: C8H3F4N Molecular Weight (g/mol): 189.113 MDL Number: MFCD00061279 InChI Key: JLTYVTXTSOYXMX-UHFFFAOYSA-N Synonym: 2-fluoro-4-trifluoromethyl benzonitrile,3-fluoro-4-cyano-benzotrifluoride,4-cyano-3-fluorobenzotrifluoride,2-fluoro-4-trifluoromethyl-benzonitrile,benzonitrile, 2-fluoro-4-trifluoromethyl,alpha,alpha,alpha,2-tetrafluoro-p-tolunitrile,2-fluoro-4-trifluoromethyl benzenecarbonitrile,.alpha.,.alpha.,.alpha.,2-tetrafluoro-p-tolunitrile,pubchem4798,intermediates-zcf02116 PubChem CID: 518973 IUPAC Name: 2-fluoro-4-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1C(F)(F)F)F)C#N

PubChem CID 518973
CAS 146070-34-0
Molecular Weight (g/mol) 189.113
MDL Number MFCD00061279
SMILES C1=CC(=C(C=C1C(F)(F)F)F)C#N
Synonym 2-fluoro-4-trifluoromethyl benzonitrile,3-fluoro-4-cyano-benzotrifluoride,4-cyano-3-fluorobenzotrifluoride,2-fluoro-4-trifluoromethyl-benzonitrile,benzonitrile, 2-fluoro-4-trifluoromethyl,alpha,alpha,alpha,2-tetrafluoro-p-tolunitrile,2-fluoro-4-trifluoromethyl benzenecarbonitrile,.alpha.,.alpha.,.alpha.,2-tetrafluoro-p-tolunitrile,pubchem4798,intermediates-zcf02116
IUPAC Name 2-fluoro-4-(trifluoromethyl)benzonitrile
InChI Key JLTYVTXTSOYXMX-UHFFFAOYSA-N
Molecular Formula C8H3F4N
6

5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid, Thermo Scientific™

CAS: 499771-21-0 Molecular Formula: C11H8F3N3O2 Molecular Weight (g/mol): 271.199 InChI Key: IRJLZHQBWAUKGA-UHFFFAOYSA-N Synonym: 5-methyl-1-3-trifluoromethyl phenyl-1h-1,2,3-triazole-4-carboxylic acid,5-methyl-1-3-trifluoromethyl phenyl-1,2,3-triazole-4-carboxylic acid,maybridge1_002663,5-methyl-1-3-trifluoromethyl phenyl-4-triazolecarboxylic acid,5-methyl-1-3-trifluoromethyl phenyl triazole-4-carboxylic acid,5-methyl-1-3-trifluoromethyl phenyl-1h-1,2,3-triazole-4carboxylic acid PubChem CID: 2804089 IUPAC Name: 5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid SMILES: CC1=C(N=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)O

PubChem CID 2804089
CAS 499771-21-0
Molecular Weight (g/mol) 271.199
SMILES CC1=C(N=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)O
Synonym 5-methyl-1-3-trifluoromethyl phenyl-1h-1,2,3-triazole-4-carboxylic acid,5-methyl-1-3-trifluoromethyl phenyl-1,2,3-triazole-4-carboxylic acid,maybridge1_002663,5-methyl-1-3-trifluoromethyl phenyl-4-triazolecarboxylic acid,5-methyl-1-3-trifluoromethyl phenyl triazole-4-carboxylic acid,5-methyl-1-3-trifluoromethyl phenyl-1h-1,2,3-triazole-4carboxylic acid
IUPAC Name 5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid
InChI Key IRJLZHQBWAUKGA-UHFFFAOYSA-N
Molecular Formula C11H8F3N3O2
7

Benzotrifluoride, 99%

CAS: 98-08-8 Molecular Formula: C7H5F3 Molecular Weight (g/mol): 146.112 MDL Number: MFCD00000372 InChI Key: GETTZEONDQJALK-UHFFFAOYSA-N Synonym: benzotrifluoride,trifluoromethyl benzene,alpha,alpha,alpha-trifluorotoluene,phenylfluoroform,benzene, trifluoromethyl,benzenyl fluoride,benzylidyne fluoride,usaf ma-16,a,a,a-trifluorotoluene,trifluoro toluene PubChem CID: 7368 ChEBI: CHEBI:36810 IUPAC Name: trifluoromethylbenzene SMILES: C1=CC=C(C=C1)C(F)(F)F

PubChem CID 7368
CAS 98-08-8
Molecular Weight (g/mol) 146.112
ChEBI CHEBI:36810
MDL Number MFCD00000372
SMILES C1=CC=C(C=C1)C(F)(F)F
Synonym benzotrifluoride,trifluoromethyl benzene,alpha,alpha,alpha-trifluorotoluene,phenylfluoroform,benzene, trifluoromethyl,benzenyl fluoride,benzylidyne fluoride,usaf ma-16,a,a,a-trifluorotoluene,trifluoro toluene
IUPAC Name trifluoromethylbenzene
InChI Key GETTZEONDQJALK-UHFFFAOYSA-N
Molecular Formula C7H5F3
8

4-Bromo-2-(trifluoromethyl)benzoic acid, 98%

CAS: 320-31-0 Molecular Formula: C8H4BrF3O2 Molecular Weight (g/mol): 269.02 MDL Number: MFCD07787468 InChI Key: JXHWAPDBDXPBEQ-UHFFFAOYSA-N Synonym: 4-bromo-2-trifluoromethyl benzoic acid,benzoic acid, 4-bromo-2-trifluoromethyl,2-trifluoromethyl-4-bromobenzoic acid,pubchem4738,4-bromo-2-trifluoromethyl benzoicacid,acmc-209hq4,ksc495g7n,5-bromo-2-carboxybenzotrifluoride PubChem CID: 25067392 IUPAC Name: 4-bromo-2-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=C(C=C(Br)C=C1)C(F)(F)F

PubChem CID 25067392
CAS 320-31-0
Molecular Weight (g/mol) 269.02
MDL Number MFCD07787468
SMILES OC(=O)C1=C(C=C(Br)C=C1)C(F)(F)F
Synonym 4-bromo-2-trifluoromethyl benzoic acid,benzoic acid, 4-bromo-2-trifluoromethyl,2-trifluoromethyl-4-bromobenzoic acid,pubchem4738,4-bromo-2-trifluoromethyl benzoicacid,acmc-209hq4,ksc495g7n,5-bromo-2-carboxybenzotrifluoride
IUPAC Name 4-bromo-2-(trifluoromethyl)benzoic acid
InChI Key JXHWAPDBDXPBEQ-UHFFFAOYSA-N
Molecular Formula C8H4BrF3O2
9

3-(Trifluoromethyl)benzeneboronic acid, 98%

CAS: 1423-26-3 Molecular Formula: C7H6BF3O2 Molecular Weight (g/mol): 189.93 MDL Number: MFCD00151854 InChI Key: WOAORAPRPVIATR-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenylboronic acid,3-trifluoromethylphenylboronic acid,3-trifluoromethyl phenyl boronic acid,3-trifluoromethyl benzeneboronic acid,m-trifluoromethyl phenylboronic acid,3-trifluoromethylboronic acid,3-trifluoromethyl phenyl boranediol,3-boronobenzotrifluoride,3-trifluoromethyl benzeneboronic acid/anhydride PubChem CID: 2734388 IUPAC Name: [3-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=CC(=C1)C(F)(F)F

PubChem CID 2734388
CAS 1423-26-3
Molecular Weight (g/mol) 189.93
MDL Number MFCD00151854
SMILES OB(O)C1=CC=CC(=C1)C(F)(F)F
Synonym 3-trifluoromethyl phenylboronic acid,3-trifluoromethylphenylboronic acid,3-trifluoromethyl phenyl boronic acid,3-trifluoromethyl benzeneboronic acid,m-trifluoromethyl phenylboronic acid,3-trifluoromethylboronic acid,3-trifluoromethyl phenyl boranediol,3-boronobenzotrifluoride,3-trifluoromethyl benzeneboronic acid/anhydride
IUPAC Name [3-(trifluoromethyl)phenyl]boronic acid
InChI Key WOAORAPRPVIATR-UHFFFAOYSA-N
Molecular Formula C7H6BF3O2
10

2-(Trifluoromethyl)benzeneboronic acid, 97%

CAS: 1423-27-4 Molecular Formula: C7H6BF3O2 Molecular Weight (g/mol): 189.928 MDL Number: MFCD00236059 InChI Key: JNSBEPKGFVENFS-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenylboronic acid,2-trifluoromethylphenylboronic acid,2-trifluoromethyl phenyl boronic acid,2-trifluoromethyl benzeneboronic acid,2-trifluoromethyl phenyl boranediol,o-trifluoromethylphenylboronic acid,2-boronobenzotrifluoride,alpha,alpha,alpha-trifluoro-o-tolueneboronic acid PubChem CID: 2734387 IUPAC Name: [2-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=CC=CC=C1C(F)(F)F)(O)O

PubChem CID 2734387
CAS 1423-27-4
Molecular Weight (g/mol) 189.928
MDL Number MFCD00236059
SMILES B(C1=CC=CC=C1C(F)(F)F)(O)O
Synonym 2-trifluoromethyl phenylboronic acid,2-trifluoromethylphenylboronic acid,2-trifluoromethyl phenyl boronic acid,2-trifluoromethyl benzeneboronic acid,2-trifluoromethyl phenyl boranediol,o-trifluoromethylphenylboronic acid,2-boronobenzotrifluoride,alpha,alpha,alpha-trifluoro-o-tolueneboronic acid
IUPAC Name [2-(trifluoromethyl)phenyl]boronic acid
InChI Key JNSBEPKGFVENFS-UHFFFAOYSA-N
Molecular Formula C7H6BF3O2
11

2,6-Bis(trifluoromethyl)benzeneboronic acid, 97%

CAS: 681812-07-7 Molecular Formula: C8H5BF6O2 Molecular Weight (g/mol): 257.926 MDL Number: MFCD04039321 InChI Key: WAMPGNNEOZGBHR-UHFFFAOYSA-N Synonym: 2,6-bis trifluoromethyl phenyl boronic acid,2,6-bis trifluoromethyl phenylboronic acid,2,6-bis trifluoromethyl benzeneboronic acid,2,6-ditrifluoromethylphenyl boronic acid,boronic acid, 2,6-bis trifluoromethyl phenyl,acmc-1b92w,ablock ab-13-3574,2,6-bis-trifluoromethyl benzeneboronic acid PubChem CID: 2783239 IUPAC Name: [2,6-bis(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C=CC=C1C(F)(F)F)C(F)(F)F)(O)O

PubChem CID 2783239
CAS 681812-07-7
Molecular Weight (g/mol) 257.926
MDL Number MFCD04039321
SMILES B(C1=C(C=CC=C1C(F)(F)F)C(F)(F)F)(O)O
Synonym 2,6-bis trifluoromethyl phenyl boronic acid,2,6-bis trifluoromethyl phenylboronic acid,2,6-bis trifluoromethyl benzeneboronic acid,2,6-ditrifluoromethylphenyl boronic acid,boronic acid, 2,6-bis trifluoromethyl phenyl,acmc-1b92w,ablock ab-13-3574,2,6-bis-trifluoromethyl benzeneboronic acid
IUPAC Name [2,6-bis(trifluoromethyl)phenyl]boronic acid
InChI Key WAMPGNNEOZGBHR-UHFFFAOYSA-N
Molecular Formula C8H5BF6O2
12

4-Bromo-3-chlorobenzotrifluoride, 98%

CAS: 402-04-0 Molecular Formula: C7H3BrClF3 Molecular Weight (g/mol): 259.45 MDL Number: MFCD00673985 InChI Key: RVTIHGGJJMXISV-UHFFFAOYSA-N Synonym: 4-bromo-3-chlorobenzotrifluoride,1-bromo-2-chloro-4-trifluoromethyl benzene,1-bromo-2-chloro-4-trifluoromethyl-benzene,benzene, 1-bromo-2-chloro-4-trifluoromethyl,3-chloro-4-bromobenzotrifluoride,4-trifluoromethyl-2-chloro-bromo benzene,pubchem13478,ksc494s1t,2-chloro-4-trifluoromethylbromobenzene,4-cf3-2-chloro-bromo benzene PubChem CID: 14273266 IUPAC Name: 1-bromo-2-chloro-4-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)Br

PubChem CID 14273266
CAS 402-04-0
Molecular Weight (g/mol) 259.45
MDL Number MFCD00673985
SMILES C1=CC(=C(C=C1C(F)(F)F)Cl)Br
Synonym 4-bromo-3-chlorobenzotrifluoride,1-bromo-2-chloro-4-trifluoromethyl benzene,1-bromo-2-chloro-4-trifluoromethyl-benzene,benzene, 1-bromo-2-chloro-4-trifluoromethyl,3-chloro-4-bromobenzotrifluoride,4-trifluoromethyl-2-chloro-bromo benzene,pubchem13478,ksc494s1t,2-chloro-4-trifluoromethylbromobenzene,4-cf3-2-chloro-bromo benzene
IUPAC Name 1-bromo-2-chloro-4-(trifluoromethyl)benzene
InChI Key RVTIHGGJJMXISV-UHFFFAOYSA-N
Molecular Formula C7H3BrClF3
13

4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride, 99%

CAS: 17823-46-0 Molecular Formula: C7BrF7 Molecular Weight (g/mol): 296.97 MDL Number: MFCD00075240 InChI Key: DONVNRFILRLHJB-UHFFFAOYSA-N Synonym: 1-bromo-2,3,5,6-tetrafluoro-4-trifluoromethyl benzene,4-bromo-2,3,5,6-tetrafluorobenzotrifluoride,p-bromoheptafluorotoluene,4-trifluoromethyl-2,3,5,6-tetrafluorobromobenzene,acmc-209ee7,4-bromoheptafluorotoluene,4-bromo-alpha,alpha,alpha,2,3,5,6-heptafluorotoluene,1-trifluoromethyl-2,3,5,6-tetrafluoro-4-bromobenzene PubChem CID: 626637 IUPAC Name: 1-bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene SMILES: C1(=C(C(=C(C(=C1F)F)Br)F)F)C(F)(F)F

PubChem CID 626637
CAS 17823-46-0
Molecular Weight (g/mol) 296.97
MDL Number MFCD00075240
SMILES C1(=C(C(=C(C(=C1F)F)Br)F)F)C(F)(F)F
Synonym 1-bromo-2,3,5,6-tetrafluoro-4-trifluoromethyl benzene,4-bromo-2,3,5,6-tetrafluorobenzotrifluoride,p-bromoheptafluorotoluene,4-trifluoromethyl-2,3,5,6-tetrafluorobromobenzene,acmc-209ee7,4-bromoheptafluorotoluene,4-bromo-alpha,alpha,alpha,2,3,5,6-heptafluorotoluene,1-trifluoromethyl-2,3,5,6-tetrafluoro-4-bromobenzene
IUPAC Name 1-bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
InChI Key DONVNRFILRLHJB-UHFFFAOYSA-N
Molecular Formula C7BrF7
14

4-(Trifluoromethyl)phenylhydrazine hydrochloride, 96%

CAS: 2923-56-0 Molecular Formula: C7H8ClF3N2 Molecular Weight (g/mol): 212.6 MDL Number: MFCD00204233 InChI Key: WCAGNYIHAYOPSE-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenylhydrazine hydrochloride,4-trifluoromethyl phenyl hydrazine hydrochloride,1-4-trifluoromethyl phenyl hydrazine hydrochloride,4-trifluoromethylphenyl hydrazine hydrochloride,4-trifluoromethyl phenylhydrazine hcl,4-trifluoromethyl phenylhydrazine, hcl,hydrazine, 4-trifluoromethyl phenyl-, monohydrochloride,n'-4-trifluoromethyl-phenyl-hydrazinium, chloride PubChem CID: 24229790 IUPAC Name: [4-(trifluoromethyl)phenyl]hydrazine;hydrochloride SMILES: C1=CC(=CC=C1C(F)(F)F)NN.Cl

PubChem CID 24229790
CAS 2923-56-0
Molecular Weight (g/mol) 212.6
MDL Number MFCD00204233
SMILES C1=CC(=CC=C1C(F)(F)F)NN.Cl
Synonym 4-trifluoromethyl phenylhydrazine hydrochloride,4-trifluoromethyl phenyl hydrazine hydrochloride,1-4-trifluoromethyl phenyl hydrazine hydrochloride,4-trifluoromethylphenyl hydrazine hydrochloride,4-trifluoromethyl phenylhydrazine hcl,4-trifluoromethyl phenylhydrazine, hcl,hydrazine, 4-trifluoromethyl phenyl-, monohydrochloride,n'-4-trifluoromethyl-phenyl-hydrazinium, chloride
IUPAC Name [4-(trifluoromethyl)phenyl]hydrazine;hydrochloride
InChI Key WCAGNYIHAYOPSE-UHFFFAOYSA-N
Molecular Formula C7H8ClF3N2
15

2,4-Bis(trifluoromethyl)benzeneboronic acid, 97%

CAS: 153254-09-2 Molecular Formula: C8H5BF6O2 Molecular Weight (g/mol): 257.93 MDL Number: MFCD01631349 InChI Key: WLYPBMBWKYALCG-UHFFFAOYSA-N Synonym: 2,4-bis trifluoromethyl phenylboronic acid,2,4-bis trifluoromethyl benzeneboronic acid,2,4-bis trifluoromethyl phenylboronicacid,2,4-bis trifluoromethyl phenyl boronic acid,boronic acid, 2,4-bis trifluoromethyl phenyl,2,4-bis-trifluoromethylphenylboronic acid,pubchem5262,acmc-209d8w,2,4-bis trifluoromethyl phenyl,2,4-bistrifluoromethylbenzeneboronic acid PubChem CID: 2782667 IUPAC Name: [2,4-bis(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=C(C=C1C(F)(F)F)C(F)(F)F

PubChem CID 2782667
CAS 153254-09-2
Molecular Weight (g/mol) 257.93
MDL Number MFCD01631349
SMILES OB(O)C1=CC=C(C=C1C(F)(F)F)C(F)(F)F
Synonym 2,4-bis trifluoromethyl phenylboronic acid,2,4-bis trifluoromethyl benzeneboronic acid,2,4-bis trifluoromethyl phenylboronicacid,2,4-bis trifluoromethyl phenyl boronic acid,boronic acid, 2,4-bis trifluoromethyl phenyl,2,4-bis-trifluoromethylphenylboronic acid,pubchem5262,acmc-209d8w,2,4-bis trifluoromethyl phenyl,2,4-bistrifluoromethylbenzeneboronic acid
IUPAC Name [2,4-bis(trifluoromethyl)phenyl]boronic acid
InChI Key WLYPBMBWKYALCG-UHFFFAOYSA-N
Molecular Formula C8H5BF6O2