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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4-Formyl-3-(trifluoromethyl)benzeneboronic acid, 95%, Thermo Scientific Chemicals

CAS: 1072944-24-1 Molecular Formula: C8H6BF3O3 Molecular Weight (g/mol): 217.938 MDL Number: MFCD09037498 InChI Key: OQDHNEKEJVPVDS-UHFFFAOYSA-N Synonym: 4-formyl-3-trifluoromethyl phenyl boronic acid,4-formyl-3-trifluoromethyl phenylboronic acid,4-formyl-3-trifluoromethyl benzeneboronic acid,5-borono-2-formylbenzotrifluoride,4-borono-2-trifluoromethyl benzaldehyde,3-trifluoromethyl-4-formylphenylboronic acid,acmc-2098oi,4-formyl-3-trifluoromethyl phenyl boronicacid PubChem CID: 44755197 IUPAC Name: [4-formyl-3-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)C=O)C(F)(F)F)(O)O

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Specifications

PubChem CID	44755197
CAS	1072944-24-1
Molecular Weight (g/mol)	217.938
MDL Number	MFCD09037498
SMILES	B(C1=CC(=C(C=C1)C=O)C(F)(F)F)(O)O
Synonym	4-formyl-3-trifluoromethyl phenyl boronic acid,4-formyl-3-trifluoromethyl phenylboronic acid,4-formyl-3-trifluoromethyl benzeneboronic acid,5-borono-2-formylbenzotrifluoride,4-borono-2-trifluoromethyl benzaldehyde,3-trifluoromethyl-4-formylphenylboronic acid,acmc-2098oi,4-formyl-3-trifluoromethyl phenyl boronicacid
IUPAC Name	[4-formyl-3-(trifluoromethyl)phenyl]boronic acid
InChI Key	OQDHNEKEJVPVDS-UHFFFAOYSA-N
Molecular Formula	C8H6BF3O3

2-Iodo-4-(trifluoromethyl)aniline, 99%

CAS: 163444-17-5 Molecular Formula: C7H5F3IN Molecular Weight (g/mol): 287.02 MDL Number: MFCD02683097 InChI Key: UKKWTZPXYIYONW-UHFFFAOYSA-N Synonym: 4-amino-3-iodobenzotrifluoride,2-iodo-4-trifluoromethyl aniline,4-trifluoromethyl-2-iodobenzenamine,benzenamine, 2-iodo-4-trifluoromethyl,2-iodo-4-trifluoromethyl benzenamine,pubchem1632,acmc-209dpp,intermediates-zcf02228,ksc910s3b,3-iodo-4-aminobenzotrifluoride PubChem CID: 2783322 IUPAC Name: 2-iodo-4-(trifluoromethyl)aniline SMILES: NC1=C(I)C=C(C=C1)C(F)(F)F

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Specifications

PubChem CID	2783322
CAS	163444-17-5
Molecular Weight (g/mol)	287.02
MDL Number	MFCD02683097
SMILES	NC1=C(I)C=C(C=C1)C(F)(F)F
Synonym	4-amino-3-iodobenzotrifluoride,2-iodo-4-trifluoromethyl aniline,4-trifluoromethyl-2-iodobenzenamine,benzenamine, 2-iodo-4-trifluoromethyl,2-iodo-4-trifluoromethyl benzenamine,pubchem1632,acmc-209dpp,intermediates-zcf02228,ksc910s3b,3-iodo-4-aminobenzotrifluoride
IUPAC Name	2-iodo-4-(trifluoromethyl)aniline
InChI Key	UKKWTZPXYIYONW-UHFFFAOYSA-N
Molecular Formula	C7H5F3IN

4-Trifluoromethylbenzoic anhydride, 97%

CAS: 25753-16-6 Molecular Formula: C16H8F6O3 Molecular Weight (g/mol): 362.227 MDL Number: MFCD00671577 InChI Key: FNAWJOBKLWLHTA-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzoic anhydride,tfba,4-trifluoromethylbenzoic anhydride,4-trifluoromethyl benzoyl 4-trifluoromethyl benzoate,benzoic acid,4-trifluoromethyl-, anhydride with 4-trifluoromethyl benzoic acid,acmc-1cg53,p-trifluoromethylbenzoic acid anhydride,bis 4-trifluoromethylbenzoic acid anhydride,benzoic acid, 4-trifluoromethyl-, anhydride PubChem CID: 2760733 IUPAC Name: [4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate SMILES: C1=CC(=CC=C1C(=O)OC(=O)C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F

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Specifications

PubChem CID	2760733
CAS	25753-16-6
Molecular Weight (g/mol)	362.227
MDL Number	MFCD00671577
SMILES	C1=CC(=CC=C1C(=O)OC(=O)C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F
Synonym	4-trifluoromethyl benzoic anhydride,tfba,4-trifluoromethylbenzoic anhydride,4-trifluoromethyl benzoyl 4-trifluoromethyl benzoate,benzoic acid,4-trifluoromethyl-, anhydride with 4-trifluoromethyl benzoic acid,acmc-1cg53,p-trifluoromethylbenzoic acid anhydride,bis 4-trifluoromethylbenzoic acid anhydride,benzoic acid, 4-trifluoromethyl-, anhydride
IUPAC Name	[4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate
InChI Key	FNAWJOBKLWLHTA-UHFFFAOYSA-N
Molecular Formula	C16H8F6O3

4-Iodobenzotrifluoride, 97%, Thermo Scientific Chemicals

CAS: 455-13-0 Molecular Formula: C₇H₄F₃I Molecular Weight (g/mol): 272 MDL Number: MFCD00039398 InChI Key: SKGRFPGOGCHDPC-UHFFFAOYSA-N Synonym: 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene PubChem CID: 67993 IUPAC Name: 1-iodo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)I

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Specifications

PubChem CID	67993
CAS	455-13-0
Molecular Weight (g/mol)	272
MDL Number	MFCD00039398
SMILES	C1=CC(=CC=C1C(F)(F)F)I
Synonym	4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene
IUPAC Name	1-iodo-4-(trifluoromethyl)benzene
InChI Key	SKGRFPGOGCHDPC-UHFFFAOYSA-N
Molecular Formula	C₇H₄F₃I

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

CAS: 206860-48-2 Molecular Formula: C₈H₅BrF₄ Molecular Weight (g/mol): 257.03 InChI Key: JMNOONULDANZRZ-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethyl benzyl bromide,1-bromomethyl-4-fluoro-2-trifluoromethyl benzene,4-fluoro-2-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-4-fluoro-2-trifluoromethyl,alpha-bromo-4-fluoro-2-trifluoromethyl toluene,1-bromomethyl-4-fluoro-2-trifluoromethyl-benzene,pubchem4642,acmc-20ai28,4-fluoro-2-trifluoromethylbenzyl bromide,4-fluoro-2-trifluoromethyl-benzyl bromide PubChem CID: 2737576 IUPAC Name: 1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1F)C(F)(F)F)CBr

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Specifications

PubChem CID	2737576
CAS	206860-48-2
Molecular Weight (g/mol)	257.03
SMILES	C1=CC(=C(C=C1F)C(F)(F)F)CBr
Synonym	4-fluoro-2-trifluoromethyl benzyl bromide,1-bromomethyl-4-fluoro-2-trifluoromethyl benzene,4-fluoro-2-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-4-fluoro-2-trifluoromethyl,alpha-bromo-4-fluoro-2-trifluoromethyl toluene,1-bromomethyl-4-fluoro-2-trifluoromethyl-benzene,pubchem4642,acmc-20ai28,4-fluoro-2-trifluoromethylbenzyl bromide,4-fluoro-2-trifluoromethyl-benzyl bromide
IUPAC Name	1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene
InChI Key	JMNOONULDANZRZ-UHFFFAOYSA-N
Molecular Formula	C₈H₅BrF₄

3,5-Bis(trifluoromethyl)bromobenzene, 99%

CAS: 328-70-1 Molecular Formula: C₈H₃BrF₆ Molecular Weight (g/mol): 293.01 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)	293.01
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

2-Iodobenzotrifluoride, 99%

CAS: 444-29-1 Molecular Formula: C7H4F3I Molecular Weight (g/mol): 272.009 MDL Number: MFCD00001041 InChI Key: IGZGUYVVBABKOY-UHFFFAOYSA-N Synonym: 2-iodobenzotrifluoride,1-iodo-2-trifluoromethyl benzene,o-iodobenzotrifluoride,benzene, 1-iodo-2-trifluoromethyl,2-iodobenztrifluoride,o-trifluoromethyliodobenzene,2-iodo-alpha,alpha,alpha-trifluorotoluene,iodobenzotrifluoride,2-iodo-a,a,a-trifluorotoluene,2-iodobenzotrifloride PubChem CID: 67957 IUPAC Name: 1-iodo-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)I

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Specifications

PubChem CID	67957
CAS	444-29-1
Molecular Weight (g/mol)	272.009
MDL Number	MFCD00001041
SMILES	C1=CC=C(C(=C1)C(F)(F)F)I
Synonym	2-iodobenzotrifluoride,1-iodo-2-trifluoromethyl benzene,o-iodobenzotrifluoride,benzene, 1-iodo-2-trifluoromethyl,2-iodobenztrifluoride,o-trifluoromethyliodobenzene,2-iodo-alpha,alpha,alpha-trifluorotoluene,iodobenzotrifluoride,2-iodo-a,a,a-trifluorotoluene,2-iodobenzotrifloride
IUPAC Name	1-iodo-2-(trifluoromethyl)benzene
InChI Key	IGZGUYVVBABKOY-UHFFFAOYSA-N
Molecular Formula	C7H4F3I

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

CAS: 503309-11-3 Molecular Formula: C7H5BF4O2 Molecular Weight (g/mol): 207.919 MDL Number: MFCD03094995 InChI Key: SSFSVKVWAURAAM-UHFFFAOYSA-N Synonym: 2-fluoro-4-trifluoromethyl phenylboronic acid,2-fluoro-4-trifluoromethylphenylboronic acid,2-fluoro-4-trifluoromethyl benzeneboronic acid,2-fluoro-4-trifluoromethyl phenyl boronic acid,boronic acid, 2-fluoro-4-trifluoromethyl phenyl,pubchem1859,acmc-209klg,ksc269g4l,4-borono-3-fluorobenzotrifluoride PubChem CID: 16414145 IUPAC Name: [2-fluoro-4-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1)C(F)(F)F)F)(O)O

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Specifications

PubChem CID	16414145
CAS	503309-11-3
Molecular Weight (g/mol)	207.919
MDL Number	MFCD03094995
SMILES	B(C1=C(C=C(C=C1)C(F)(F)F)F)(O)O
Synonym	2-fluoro-4-trifluoromethyl phenylboronic acid,2-fluoro-4-trifluoromethylphenylboronic acid,2-fluoro-4-trifluoromethyl benzeneboronic acid,2-fluoro-4-trifluoromethyl phenyl boronic acid,boronic acid, 2-fluoro-4-trifluoromethyl phenyl,pubchem1859,acmc-209klg,ksc269g4l,4-borono-3-fluorobenzotrifluoride
IUPAC Name	[2-fluoro-4-(trifluoromethyl)phenyl]boronic acid
InChI Key	SSFSVKVWAURAAM-UHFFFAOYSA-N

Trifluoromethylbenzenes

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