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-Bromo-3,5-bis(trifluoromethyl)benzene, 98%

CAS: 328-70-1 Molecular Formula: C8H3BrF6 Molecular Weight (g/mol): 293.006 MDL Number: MFCD00000381 InChI Key: CSVCVIHEBDJTCJ-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl bromobenzene,1-bromo-3,5-bis trifluoromethyl benzene,1,3-bis trifluoromethyl-5-bromobenzene,mbt-br,3,5-di trifluoromethyl bromobenzene,3,5-bis trifluoromethyl-1-bromobenzene,3,5-bis-trifluoromethylbromobenzene,benzene, 1-bromo-3,5-bis trifluoromethyl,3,5-bis trifluoromethyl phenyl bromide,1-bromo-3,5-bis-trifluoromethyl-benzene PubChem CID: 67602 IUPAC Name: 1-bromo-3,5-bis(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1C(F)(F)F)Br)C(F)(F)F

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Specifications

PubChem CID	67602
CAS	328-70-1
Molecular Weight (g/mol)	293.006
MDL Number	MFCD00000381
SMILES	C1=C(C=C(C=C1C(F)(F)F)Br)C(F)(F)F
Synonym	3,5-bis trifluoromethyl bromobenzene,1-bromo-3,5-bis trifluoromethyl benzene,1,3-bis trifluoromethyl-5-bromobenzene,mbt-br,3,5-di trifluoromethyl bromobenzene,3,5-bis trifluoromethyl-1-bromobenzene,3,5-bis-trifluoromethylbromobenzene,benzene, 1-bromo-3,5-bis trifluoromethyl,3,5-bis trifluoromethyl phenyl bromide,1-bromo-3,5-bis-trifluoromethyl-benzene
IUPAC Name	1-bromo-3,5-bis(trifluoromethyl)benzene
InChI Key	CSVCVIHEBDJTCJ-UHFFFAOYSA-N
Molecular Formula	C8H3BrF6

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

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Specifications

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

2-(Trifluoromethyl)phenylhydrazine hydrochloride, 98%

CAS: 3107-34-4 Molecular Formula: C7H8ClF3N2 Molecular Weight (g/mol): 212.6 MDL Number: MFCD00102619 InChI Key: ZUSWDTWYONAOPH-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenylhydrazine hydrochloride,2-trifluoromethyl phenylhydrazine hcl,2-hydrazinobenzotrifluoride hcl,2-hydrazinobenzotrifluoride hydrochloride,2-trifluoromethyl phenyl hydrazine hydrochloride,2-trifluoromethyl phenylhydrazine monohydrochloride,1-2-trifluoromethyl phenyl hydrazine hydrochloride,n'-2-trifluoromethyl-phenyl-hydrazinium, chloride,2-trifluoromethylphenylhydrazine hydrochloride PubChem CID: 12891828 IUPAC Name: [2-(trifluoromethyl)phenyl]hydrazine;hydrochloride SMILES: C1=CC=C(C(=C1)C(F)(F)F)NN.Cl

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Specifications

PubChem CID	12891828
CAS	3107-34-4
Molecular Weight (g/mol)	212.6
MDL Number	MFCD00102619
SMILES	C1=CC=C(C(=C1)C(F)(F)F)NN.Cl
Synonym	2-trifluoromethyl phenylhydrazine hydrochloride,2-trifluoromethyl phenylhydrazine hcl,2-hydrazinobenzotrifluoride hcl,2-hydrazinobenzotrifluoride hydrochloride,2-trifluoromethyl phenyl hydrazine hydrochloride,2-trifluoromethyl phenylhydrazine monohydrochloride,1-2-trifluoromethyl phenyl hydrazine hydrochloride,n'-2-trifluoromethyl-phenyl-hydrazinium, chloride,2-trifluoromethylphenylhydrazine hydrochloride
IUPAC Name	[2-(trifluoromethyl)phenyl]hydrazine;hydrochloride
InChI Key	ZUSWDTWYONAOPH-UHFFFAOYSA-N
Molecular Formula	C7H8ClF3N2

4-Chlorobenzotrifluoride, 98%

CAS: 98-56-6 Molecular Formula: C₇H₄ClF₃ Molecular Weight (g/mol): 180.56 MDL Number: MFCD00000627 InChI Key: QULYNCCPRWKEMF-UHFFFAOYSA-N Synonym: 4-chlorobenzotrifluoride,p-chlorobenzotrifluoride,1-chloro-4-trifluoromethyl benzene,benzene, 1-chloro-4-trifluoromethyl,4-chloro-alpha,alpha,alpha-trifluorotoluene,para-chlorobenzotrifluoride,p-chlorophenyl trifluoromethane,p-chloro-a,a,a-trifluorotoluene,pcbtf,p-chlorotrifluoromethylbenzene PubChem CID: 7394 IUPAC Name: 1-chloro-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Cl

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Specifications

PubChem CID	7394
CAS	98-56-6
Molecular Weight (g/mol)	180.56
MDL Number	MFCD00000627
SMILES	C1=CC(=CC=C1C(F)(F)F)Cl
Synonym	4-chlorobenzotrifluoride,p-chlorobenzotrifluoride,1-chloro-4-trifluoromethyl benzene,benzene, 1-chloro-4-trifluoromethyl,4-chloro-alpha,alpha,alpha-trifluorotoluene,para-chlorobenzotrifluoride,p-chlorophenyl trifluoromethane,p-chloro-a,a,a-trifluorotoluene,pcbtf,p-chlorotrifluoromethylbenzene
IUPAC Name	1-chloro-4-(trifluoromethyl)benzene
InChI Key	QULYNCCPRWKEMF-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClF₃

Sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate, 97%, may cont. 1-5% water

CAS: 79060-88-1 Molecular Formula: C32H12BF24Na Molecular Weight (g/mol): 886.209 MDL Number: MFCD00043323 InChI Key: LTGMONZOZHXAHO-UHFFFAOYSA-N Synonym: sodium tetrakis 3,5-bis trifluoromethyl phenyl borate,nabarf,sodium tetrakis 3,5-bis trifluoromethyl phenyl boranuide,sodium2-sulfonatoethylmethacrylate,sodium tetrakis 3,5-bis trifluoromethyl phenyl bor,sodium tetrakis 3,5-bis-trifluoromethylphenyl borate,sodiotetrakis 3,5-bis trifluoromethyl phenyl boron v,sodium tetrakis 3,5-bis trifluoromethyl phenyl-borate,sodium tetrakis 3,5-bis trifluoromethyl phenyl borate 1- PubChem CID: 23681909 IUPAC Name: sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide SMILES: [B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.[Na+]

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Specifications

PubChem CID	23681909
CAS	79060-88-1
Molecular Weight (g/mol)	886.209
MDL Number	MFCD00043323
SMILES	[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.[Na+]
Synonym	sodium tetrakis 3,5-bis trifluoromethyl phenyl borate,nabarf,sodium tetrakis 3,5-bis trifluoromethyl phenyl boranuide,sodium2-sulfonatoethylmethacrylate,sodium tetrakis 3,5-bis trifluoromethyl phenyl bor,sodium tetrakis 3,5-bis-trifluoromethylphenyl borate,sodiotetrakis 3,5-bis trifluoromethyl phenyl boron v,sodium tetrakis 3,5-bis trifluoromethyl phenyl-borate,sodium tetrakis 3,5-bis trifluoromethyl phenyl borate 1-
IUPAC Name	sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
InChI Key	LTGMONZOZHXAHO-UHFFFAOYSA-N
Molecular Formula	C32H12BF24Na

3-(Trifluoromethyl)aniline, 99%

CAS: 98-16-8 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.127 MDL Number: MFCD00007797 InChI Key: VIUDTWATMPPKEL-UHFFFAOYSA-N Synonym: 3-trifluoromethyl aniline,3-aminobenzotrifluoride,m-aminobenzotrifluoride,3-aminotrifluorotoluene,benzenamine, 3-trifluoromethyl,3-trifluoromethyl benzenamine,m-abtf,m-trifluoromethylaniline,m-amino trifluorotoluene,m-trifluoromethyl aniline PubChem CID: 7375 IUPAC Name: 3-(trifluoromethyl)aniline SMILES: C1=CC(=CC(=C1)N)C(F)(F)F

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Specifications

PubChem CID	7375
CAS	98-16-8
Molecular Weight (g/mol)	161.127
MDL Number	MFCD00007797
SMILES	C1=CC(=CC(=C1)N)C(F)(F)F
Synonym	3-trifluoromethyl aniline,3-aminobenzotrifluoride,m-aminobenzotrifluoride,3-aminotrifluorotoluene,benzenamine, 3-trifluoromethyl,3-trifluoromethyl benzenamine,m-abtf,m-trifluoromethylaniline,m-amino trifluorotoluene,m-trifluoromethyl aniline
IUPAC Name	3-(trifluoromethyl)aniline
InChI Key	VIUDTWATMPPKEL-UHFFFAOYSA-N
Molecular Formula	C7H6F3N

2-Nitrobenzotrifluoride, 98%, Thermo Scientific™

CAS: 384-22-5 Molecular Formula: C7H4F3NO2 Molecular Weight (g/mol): 191.11 MDL Number: MFCD00007145 InChI Key: NDZJSUCUYPZXPR-UHFFFAOYSA-N Synonym: 2-nitrobenzotrifluoride,1-nitro-2-trifluoromethyl benzene,o-nitrobenzotrifluoride,2-nitro-alpha,alpha,alpha-trifluorotoluene,o-trifluoromethyl nitrobenzene,benzene, 1-nitro-2-trifluoromethyl,unii-ovb3l8givj,ccris 2813,benzene, nitro trifluoromethyl,ovb3l8givj PubChem CID: 9795 IUPAC Name: 1-nitro-2-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC=CC=C1C(F)(F)F

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Specifications

PubChem CID	9795
CAS	384-22-5
Molecular Weight (g/mol)	191.11
MDL Number	MFCD00007145
SMILES	[O-][N+](=O)C1=CC=CC=C1C(F)(F)F
Synonym	2-nitrobenzotrifluoride,1-nitro-2-trifluoromethyl benzene,o-nitrobenzotrifluoride,2-nitro-alpha,alpha,alpha-trifluorotoluene,o-trifluoromethyl nitrobenzene,benzene, 1-nitro-2-trifluoromethyl,unii-ovb3l8givj,ccris 2813,benzene, nitro trifluoromethyl,ovb3l8givj
IUPAC Name	1-nitro-2-(trifluoromethyl)benzene
InChI Key	NDZJSUCUYPZXPR-UHFFFAOYSA-N
Molecular Formula	C7H4F3NO2

4-(Trifluoromethyl)benzyl alcohol, 98%

CAS: 349-95-1 Molecular Formula: C8H7F3O Molecular Weight (g/mol): 176.138 MDL Number: MFCD00004661 InChI Key: MOOUWXDQAUXZRG-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzyl alcohol,4-trifluoromethyl phenyl methanol,p-trifluoromethylbenzyl alcohol,4-trifluoromethyl benzene methanol,4-trifluoromethyl benzylic alcohol,benzenemethanol, 4-trifluoromethyl,4-trifluoromethylbenzyl alcohol,ccris 5117,4-trifluoromethyl benzylalcohol PubChem CID: 67684 IUPAC Name: [4-(trifluoromethyl)phenyl]methanol SMILES: C1=CC(=CC=C1CO)C(F)(F)F

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Specifications

PubChem CID	67684
CAS	349-95-1
Molecular Weight (g/mol)	176.138
MDL Number	MFCD00004661
SMILES	C1=CC(=CC=C1CO)C(F)(F)F
Synonym	4-trifluoromethyl benzyl alcohol,4-trifluoromethyl phenyl methanol,p-trifluoromethylbenzyl alcohol,4-trifluoromethyl benzene methanol,4-trifluoromethyl benzylic alcohol,benzenemethanol, 4-trifluoromethyl,4-trifluoromethylbenzyl alcohol,ccris 5117,4-trifluoromethyl benzylalcohol
IUPAC Name	[4-(trifluoromethyl)phenyl]methanol
InChI Key	MOOUWXDQAUXZRG-UHFFFAOYSA-N
Molecular Formula	C8H7F3O

3,5-Bis(trifluoromethyl)phenylmagnesium bromide, 0.5M solution in THF, AcroSeal™

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3-(Trifluoromethyl)benzyl chloride, 98%

CAS: 705-29-3 Molecular Formula: C8H6ClF3 Molecular Weight (g/mol): 194.581 MDL Number: MFCD00000908 InChI Key: XGASTRVQNVVYIZ-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzyl chloride,1-chloromethyl-3-trifluoromethyl benzene,3-trifluoromethylbenzyl chloride,3-chloromethyl benzotrifluoride,m-trifluoromethylbenzyl chloride,3-chloromethyl-benzotrifluoride,benzene, 1-chloromethyl-3-trifluoromethyl,alpha'-chloro-alpha,alpha,alpha-trifluoro-m-xylene,3-chloromethylbenzotrifluoride,3-trifluoromethylbenzylchloride PubChem CID: 69716 IUPAC Name: 1-(chloromethyl)-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)C(F)(F)F)CCl

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Specifications

PubChem CID	69716
CAS	705-29-3
Molecular Weight (g/mol)	194.581
MDL Number	MFCD00000908
SMILES	C1=CC(=CC(=C1)C(F)(F)F)CCl
Synonym	3-trifluoromethyl benzyl chloride,1-chloromethyl-3-trifluoromethyl benzene,3-trifluoromethylbenzyl chloride,3-chloromethyl benzotrifluoride,m-trifluoromethylbenzyl chloride,3-chloromethyl-benzotrifluoride,benzene, 1-chloromethyl-3-trifluoromethyl,alpha'-chloro-alpha,alpha,alpha-trifluoro-m-xylene,3-chloromethylbenzotrifluoride,3-trifluoromethylbenzylchloride
IUPAC Name	1-(chloromethyl)-3-(trifluoromethyl)benzene
InChI Key	XGASTRVQNVVYIZ-UHFFFAOYSA-N
Molecular Formula	C8H6ClF3

4-(Trifluoromethyl)benzoic acid, 98+%

CAS: 455-24-3 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.121 MDL Number: MFCD00002562 InChI Key: SWKPKONEIZGROQ-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzoic acid,p-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-p-toluic acid,benzoic acid, 4-trifluoromethyl,p-carboxybenzotrifluoride,4-trifluoromethyl-benzoic acid,a,a,a-trifluoro-p-toluic acid,ptf-boa,4-carboxybenzotrifluoride PubChem CID: 9966 ChEBI: CHEBI:60696 IUPAC Name: 4-(trifluoromethyl)benzoic acid SMILES: C1=CC(=CC=C1C(=O)O)C(F)(F)F

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Specifications

PubChem CID	9966
CAS	455-24-3
Molecular Weight (g/mol)	190.121
ChEBI	CHEBI:60696
MDL Number	MFCD00002562
SMILES	C1=CC(=CC=C1C(=O)O)C(F)(F)F
Synonym	4-trifluoromethyl benzoic acid,p-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-p-toluic acid,benzoic acid, 4-trifluoromethyl,p-carboxybenzotrifluoride,4-trifluoromethyl-benzoic acid,a,a,a-trifluoro-p-toluic acid,ptf-boa,4-carboxybenzotrifluoride
IUPAC Name	4-(trifluoromethyl)benzoic acid
InChI Key	SWKPKONEIZGROQ-UHFFFAOYSA-N
Molecular Formula	C8H5F3O2

4-Aminobenzotrifluoride, 99%

CAS: 455-14-1 Molecular Formula: C₇H₆F₃N Molecular Weight (g/mol): 161.13 MDL Number: MFCD00064396 InChI Key: ODGIMMLDVSWADK-UHFFFAOYSA-N Synonym: 4-trifluoromethyl aniline,4-aminobenzotrifluoride,p-aminobenzotrifluoride,p-trifluoromethylaniline,benzenamine, 4-trifluoromethyl,4-trifluoromethyl benzenamine,p-trifluoromethyl aniline,aniline, p-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluidine,a,a,a-trifluoro-p-toluidine PubChem CID: 9964 ChEBI: CHEBI:40750 IUPAC Name: 4-(trifluoromethyl)aniline SMILES: C1=CC(=CC=C1C(F)(F)F)N

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Specifications

PubChem CID	9964
CAS	455-14-1
Molecular Weight (g/mol)	161.13
ChEBI	CHEBI:40750
MDL Number	MFCD00064396
SMILES	C1=CC(=CC=C1C(F)(F)F)N
Synonym	4-trifluoromethyl aniline,4-aminobenzotrifluoride,p-aminobenzotrifluoride,p-trifluoromethylaniline,benzenamine, 4-trifluoromethyl,4-trifluoromethyl benzenamine,p-trifluoromethyl aniline,aniline, p-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluidine,a,a,a-trifluoro-p-toluidine
IUPAC Name	4-(trifluoromethyl)aniline
InChI Key	ODGIMMLDVSWADK-UHFFFAOYSA-N
Molecular Formula	C₇H₆F₃N

Methyl 3-(trifluoromethyl)benzoate, 97%

CAS: 2557-13-3 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.148 MDL Number: MFCD00043543 InChI Key: QQHNNQCWKYFNAC-UHFFFAOYSA-N Synonym: methyl 3-trifluoromethyl benzoate,3-carbomethoxybenzotrifluoride,3-trifluoromethyl benzoic acid methyl ester,methyl3-trifluoromethyl benzoate,methyl m-trifluoromethyl benzoate,3-trifluoromethyl-benzoic aic methyl ester,mtf-bom,methyl m-trifluoromethylbenzoate,3-methoxycarbonyl benzotrifluoride PubChem CID: 520213 IUPAC Name: methyl 3-(trifluoromethyl)benzoate SMILES: COC(=O)C1=CC(=CC=C1)C(F)(F)F

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Specifications

PubChem CID	520213
CAS	2557-13-3
Molecular Weight (g/mol)	204.148
MDL Number	MFCD00043543
SMILES	COC(=O)C1=CC(=CC=C1)C(F)(F)F
Synonym	methyl 3-trifluoromethyl benzoate,3-carbomethoxybenzotrifluoride,3-trifluoromethyl benzoic acid methyl ester,methyl3-trifluoromethyl benzoate,methyl m-trifluoromethyl benzoate,3-trifluoromethyl-benzoic aic methyl ester,mtf-bom,methyl m-trifluoromethylbenzoate,3-methoxycarbonyl benzotrifluoride
IUPAC Name	methyl 3-(trifluoromethyl)benzoate
InChI Key	QQHNNQCWKYFNAC-UHFFFAOYSA-N
Molecular Formula	C9H7F3O2

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

Pricing and Availability
Specifications

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

4-Fluoro-2-(trifluoromethyl)benzyl bromide, 98%, Thermo Scientific™

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Trifluoromethylbenzenes

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