Trifluoromethylbenzenes

alpha,alpha,alpha-Trifluorotoluene, 99+%, ACROS Organics™

CAS: 98-08-8 Molecular Formula: C7H5F3 Molecular Weight (g/mol): 146.11 MDL Number: MFCD00000372 InChI Key: GETTZEONDQJALK-UHFFFAOYSA-N Synonym: a,a,a-trifluorotoluene PubChem CID: 7368 ChEBI: CHEBI:36810 IUPAC Name: trifluoromethylbenzene SMILES: C1=CC=C(C=C1)C(F)(F)F

Alfa Aesar™ Fluoxetine hydrochloride, 99%

CAS: 56296-78-7 Molecular Formula: C17H19ClF3NO Molecular Weight (g/mol): 345.79 MDL Number: MFCD00214288 InChI Key: GIYXAJPCNFJEHY-UHFFFAOYSA-N Synonym: adofen PubChem CID: 62857 IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride SMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl

Alfa Aesar™ 1,3-Bis(trifluoromethyl)benzene, 98+%

CAS: 402-31-3 Molecular Formula: C8H4F6 Molecular Weight (g/mol): 214.11 MDL Number: MFCD00000392 InChI Key: SJBBXFLOLUTGCW-UHFFFAOYSA-N Synonym: 1,3-bis trifluoromethyl benzene PubChem CID: 223106 IUPAC Name: 1,3-bis(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Alfa Aesar™ Methyl 4-(trifluoromethyl)benzoate, 98%

CAS: 2967-66-0 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.148 MDL Number: MFCD00042324 InChI Key: VAZWXPJOOFSNLB-UHFFFAOYSA-N Synonym: 3-cf3-c6h4-cooch3 PubChem CID: 520447 IUPAC Name: methyl 4-(trifluoromethyl)benzoate SMILES: COC(=O)C1=CC=C(C=C1)C(F)(F)F

Teriflunomide 98.0+%, TCI America™

CAS: 163451-81-8 Molecular Formula: C12H9F3N2O2 Molecular Weight (g/mol): 270.211 MDL Number: MFCD00910058 InChI Key: UTNUDOFZCWSZMS-YFHOEESVSA-N Synonym: N-[4-(Trifluoromethyl)phenyl]-2-cyano-3-hydroxycrotonamide, (Z)-2-Cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-2-butenamide PubChem CID: 54684141 ChEBI: CHEBI:68540 IUPAC Name: (Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide SMILES: CC(=C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)O

Alfa Aesar™ 2-Fluoro-3-(trifluoromethyl)benzylamine, 97%

CAS: 239135-49-0 Molecular Formula: C8H7F4N Molecular Weight (g/mol): 193.145 MDL Number: MFCD00061161 InChI Key: PQUYJDPJHOSOTN-UHFFFAOYSA-N Synonym: 1-2-fluoro-3-trifluoromethyl phenyl methanamine PubChem CID: 2737565 IUPAC Name: [2-fluoro-3-(trifluoromethyl)phenyl]methanamine SMILES: C1=CC(=C(C(=C1)C(F)(F)F)F)CN

Alfa Aesar™ Octafluorotoluene, 98+%

CAS: 434-64-0 Molecular Formula: C7F8 Molecular Weight (g/mol): 236.064 MDL Number: MFCD00000375 InChI Key: USPWUOFNOTUBAD-UHFFFAOYSA-N Synonym: 1,2,3,4,5-pentafluoro-6-trifluoromethyl benzene PubChem CID: 9906 IUPAC Name: 1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(F)(F)F

CFTRinh 172, Tocris Bioscience™

CAS: 307510-92-5 Molecular Formula: C18H10F3NO3S2 Molecular Weight (g/mol): 409.397 InChI Key: JIMHYXZZCWVCMI-RIYZIHGNSA-N Synonym: 4-4-oxo-2-thioxo-3-3-trifluoromethyl-phenyl-thiazolidin-5z-ylidenemethyl-benzoic acid PubChem CID: 1554210 IUPAC Name: 4-[(E)-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acid SMILES: C1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=S)C(F)(F)F

Alfa Aesar™ 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 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-]

Alfa Aesar™ 4-Methyl-3-(trifluoromethyl)benzyl bromide, 97%

CAS: 261952-19-6 Molecular Formula: C9H8BrF3 Molecular Weight (g/mol): 253.062 MDL Number: MFCD01631612 InChI Key: DEGVSFJBDJUTBP-UHFFFAOYSA-N Synonym: 4-bromomethyl-1-methyl-2-trifluoromethyl benzene PubChem CID: 2775627 IUPAC Name: 4-(bromomethyl)-1-methyl-2-(trifluoromethyl)benzene SMILES: CC1=C(C=C(C=C1)CBr)C(F)(F)F

(±)-NBI 74330, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 473722-68-8 Molecular Formula: C32H27F4N5O3 Molecular Weight (g/mol): 605.594 InChI Key: XMRGQUDUVGRCBS-UHFFFAOYSA-N Synonym: d0a8pv PubChem CID: 10167713 IUPAC Name: N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide SMILES: CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=CC=C3)N=C2C(C)N(CC4=CN=CC=C4)C(=O)CC5=CC(=C(C=C5)F)C(F)(F)F

Chlorobis[3,5-bis(trifluoromethyl)phenyl]phosphine, 98+%, may contain suspended dimethylamine hydrochloride crystals, Alfa Aesar™

CAS: 142421-57-6 Molecular Formula: C16H6ClF12P Molecular Weight (g/mol): 492.629 MDL Number: MFCD01630852 InChI Key: DFZQEHBNAJGDCT-UHFFFAOYSA-N Synonym: acmc-20alnu PubChem CID: 5104965 IUPAC Name: bis[3,5-bis(trifluoromethyl)phenyl]-chlorophosphane SMILES: C1=C(C=C(C=C1C(F)(F)F)P(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl)C(F)(F)F

RWJ 50271, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 162112-37-0 Molecular Formula: C18H17F3N4O2S Molecular Weight (g/mol): 410.415 InChI Key: HOFGTYCLOKDAES-UHFFFAOYSA-N Synonym: 5-methyl-1-4-3-trifluoromethyl-phenyl-thiazol-2-yl-1h-pyrazole-4-carboxylic acid 3-hydroxy-propyl-amide PubChem CID: 9953357 IUPAC Name: N-(3-hydroxypropyl)-5-methyl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide SMILES: CC1=C(C=NN1C2=NC(=CS2)C3=CC(=CC=C3)C(F)(F)F)C(=O)NCCCO

4-Trifluoromethyl-2,3,5,6-tetrafluorobromobenzene 99.0+%, TCI America™

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 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

Bicalutamide, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 90357-06-5 Molecular Formula: C18H14F4N2O4S Molecular Weight (g/mol): 430.374 InChI Key: LKJPYSCBVHEWIU-UHFFFAOYSA-N Synonym: bicalutamide PubChem CID: 2375 IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide SMILES: CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O

Alfa Aesar™ 3,5-Bis(trifluoromethyl)phenyl isocyanate, 98%

CAS: 16588-74-2 Molecular Formula: C9H3F6NO Molecular Weight (g/mol): 255.119 MDL Number: MFCD00013559 InChI Key: NRSSOFNMWSJECS-UHFFFAOYSA-N Synonym: 1-isocyanato-3,5-bis trifluoromethyl benzene PubChem CID: 2733314 IUPAC Name: 1-isocyanato-3,5-bis(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F

(S)-(-)-Bay K 8644, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 98625-26-4 Molecular Formula: C16H15F3N2O4 Molecular Weight (g/mol): 356.301 InChI Key: ZFLWDHHVRRZMEI-ZDUSSCGKSA-N Synonym: --s-bayk8644 PubChem CID: 6603728 IUPAC Name: methyl (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate SMILES: CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC

Alfa Aesar™ 2-Methoxy-4-(trifluoromethyl)benzoic acid, 97%

CAS: 448-36-2 Molecular Formula: C9H7F3O3 Molecular Weight (g/mol): 220.147 MDL Number: MFCD04115976 InChI Key: QWRIRBUKLBWVNF-UHFFFAOYSA-N Synonym: 2-carboxy-5-trifluoromethyl anisole PubChem CID: 3690873 IUPAC Name: 2-methoxy-4-(trifluoromethyl)benzoic acid SMILES: COC1=C(C=CC(=C1)C(F)(F)F)C(=O)O

(R)-(+)-Bay K 8644, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 98791-67-4 Molecular Formula: C16H15F3N2O4 Molecular Weight (g/mol): 356.301 InChI Key: ZFLWDHHVRRZMEI-CYBMUJFWSA-N Synonym: bay-k-8644 r-+ PubChem CID: 6604881 IUPAC Name: methyl (4R)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate SMILES: CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC

4-(Trifluoromethyl)benzaldehyde, 98%, ACROS Organics™

CAS: 455-19-6 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.12 MDL Number: MFCD00006952 InChI Key: BEOBZEOPTQQELP-UHFFFAOYSA-N Synonym: 4'-trifluoromethyl benzaldehyde PubChem CID: 67996 IUPAC Name: 4-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=CC=C1C=O)C(F)(F)F

3,5-Bis(trifluoromethyl)phenyl Isocyanate 98.0+%, TCI America™

CAS: 16588-74-2 Molecular Formula: C9H3F6NO Molecular Weight (g/mol): 255.119 MDL Number: MFCD00013559 InChI Key: NRSSOFNMWSJECS-UHFFFAOYSA-N Synonym: 1-isocyanato-3,5-bis trifluoromethyl benzene PubChem CID: 2733314 IUPAC Name: 1-isocyanato-3,5-bis(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F

Fluoxetine Hydrochloride 98.0+%, TCI America™

CAS: 56296-78-7 Molecular Formula: C17H19ClF3NO Molecular Weight (g/mol): 345.79 MDL Number: MFCD00214288 InChI Key: GIYXAJPCNFJEHY-UHFFFAOYSA-N Synonym: adofen PubChem CID: 62857 IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride SMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl

2-Fluoro-5-(trifluoromethyl)phenol 98.0+%, TCI America™

CAS: 141483-15-0 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.102 MDL Number: MFCD00061286 InChI Key: MCOSBFKOUQAIJS-UHFFFAOYSA-N Synonym: 2-fluoro-5-trifluoromethyl phenol PubChem CID: 518888 IUPAC Name: 2-fluoro-5-(trifluoromethyl)phenol SMILES: C1=CC(=C(C=C1C(F)(F)F)O)F

4-Aminobenzotrifluoride 98.0+%, TCI America™

CAS: 455-14-1 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.127 MDL Number: MFCD00064396 InChI Key: ODGIMMLDVSWADK-UHFFFAOYSA-N Synonym: 4-aminobenzotrifluoride PubChem CID: 9964 ChEBI: CHEBI:40750 IUPAC Name: 4-(trifluoromethyl)aniline SMILES: C1=CC(=CC=C1C(F)(F)F)N

1-Bromo-3,5-bis(trifluoromethyl)benzene 98.0+%, TCI America™

CAS: 328-70-1 Molecular Formula: C8H3BrF6 Molecular Weight (g/mol): 293.006 MDL Number: MFCD00000381 InChI Key: CSVCVIHEBDJTCJ-UHFFFAOYSA-N Synonym: 1,3-bis trifluoromethyl-5-bromobenzene 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

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

CAS: 79060-88-1 Molecular Formula: C32H12BF24Na Molecular Weight (g/mol): 886.209 MDL Number: MFCD00043323 InChI Key: LTGMONZOZHXAHO-UHFFFAOYSA-N Synonym: nabarf 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+]

Bicalutamide 98.0+%, TCI America™

CAS: 90357-06-5 Molecular Formula: C18H14F4N2O4S Molecular Weight (g/mol): 430.374 MDL Number: MFCD00869971 InChI Key: LKJPYSCBVHEWIU-UHFFFAOYSA-N Synonym: bicalutamide PubChem CID: 2375 IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide SMILES: CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O

4-(Trifluoromethyl)benzylamine, 97%, ACROS Organics™

CAS: 3300-51-4 Molecular Formula: C8H8F3N Molecular Weight (g/mol): 175.15 MDL Number: MFCD00010220 InChI Key: PRDBLLIPPDOICK-UHFFFAOYSA-N Synonym: 1-4-trifluoromethyl phenyl methanamine PubChem CID: 76804 IUPAC Name: [4-(trifluoromethyl)phenyl]methanamine SMILES: C1=CC(=CC=C1CN)C(F)(F)F

Alfa Aesar™ 2-Chloro-4-(trifluoromethyl)benzyl bromide, 97%

CAS: 279252-26-5 Molecular Formula: C8H5BrClF3 Molecular Weight (g/mol): 273.477 MDL Number: MFCD14155638 InChI Key: AIZUUFYFLNVTQX-UHFFFAOYSA-N Synonym: 1-bromomethyl-2-chloro-4-trifluoromethyl benzene PubChem CID: 22058559 IUPAC Name: 1-(bromomethyl)-2-chloro-4-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)CBr

3,5-Bis(trifluoromethyl)aniline, 98+%, ACROS Organics™

CAS: 328-74-5 Molecular Formula: C8H5F6N Molecular Weight (g/mol): 229.12 MDL Number: MFCD00000394 InChI Key: CDIDGWDGQGVCIB-UHFFFAOYSA-N Synonym: 3',5'-bis-trifluoromethyl aniline PubChem CID: 9480 IUPAC Name: 3,5-bis(trifluoromethyl)aniline SMILES: C1=C(C=C(C=C1C(F)(F)F)N)C(F)(F)F

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