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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 – 15 of 553 results
1

Bicalutamide Impurity D, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.

2

TraceCERT™ 2,4-Dichlorobenzotrifluoride, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

3

Bicalutamide, 97%, Thermo Scientific Chemicals

CAS: 90357-06-5 Molecular Formula: C18H14F4N2O4S Molecular Weight (g/mol): 430.37 InChI Key: LKJPYSCBVHEWIU-UHFFFAOYSA-N Synonym: bicalutamide,casodex,cosudex,calutide,bicalutamide cdx,raffolutil,kalumid,casodex tn,bicalutamide usan:inn:ban,bicalutamide casodex 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

PubChem CID 2375
CAS 90357-06-5
Molecular Weight (g/mol) 430.37
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
Synonym bicalutamide,casodex,cosudex,calutide,bicalutamide cdx,raffolutil,kalumid,casodex tn,bicalutamide usan:inn:ban,bicalutamide casodex
IUPAC Name N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
InChI Key LKJPYSCBVHEWIU-UHFFFAOYSA-N
Molecular Formula C18H14F4N2O4S
4

4-Amino-2-(trifluoromethyl)benzonitrile, 97%

CAS: 654-70-6 Molecular Formula: C8H5F3N2 Molecular Weight (g/mol): 186.14 InChI Key: PMDYLCUKSLBUHO-UHFFFAOYSA-N Synonym: 4-amino-2-trifluoromethyl benzonitrile,5-amino-2-cyanobenzotrifluoride,4-cyano-3-trifluoromethylaniline,2-cyano-5-aminobenzotrifluoride,4-cyano-3-trifluoromethyl aniline,benzonitrile, 4-amino-2-trifluoromethyl,unii-l47d9xhc08,4-amino 2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-aminobenzonitrile,4-amino-2-trifluoromethyl benzenecarbonitrile PubChem CID: 522170 IUPAC Name: 4-amino-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1N)C(F)(F)F)C#N

PubChem CID 522170
CAS 654-70-6
Molecular Weight (g/mol) 186.14
SMILES C1=CC(=C(C=C1N)C(F)(F)F)C#N
Synonym 4-amino-2-trifluoromethyl benzonitrile,5-amino-2-cyanobenzotrifluoride,4-cyano-3-trifluoromethylaniline,2-cyano-5-aminobenzotrifluoride,4-cyano-3-trifluoromethyl aniline,benzonitrile, 4-amino-2-trifluoromethyl,unii-l47d9xhc08,4-amino 2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-aminobenzonitrile,4-amino-2-trifluoromethyl benzenecarbonitrile
IUPAC Name 4-amino-2-(trifluoromethyl)benzonitrile
InChI Key PMDYLCUKSLBUHO-UHFFFAOYSA-N
Molecular Formula C8H5F3N2
5

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

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
6

(alpha,alpha,alpha-Trifluoro-p-tolyl)acetic acid, 98%

CAS: 32857-62-8 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.15 MDL Number: MFCD00004352 InChI Key: HNORVZDAANCHAY-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenylacetic acid,2-4-trifluoromethyl phenyl acetic acid,4-trifluoromethylphenylacetic acid,4-trifluoromethyl phenyl acetic acid,alpha,alpha,alpha-trifluoro-p-tolyl acetic acid,benzeneacetic acid, 4-trifluoromethyl,p-trifluoromethyl phenylacetic acid,p-trifluoromethylphenylacetic acid,alpha,alpha,alpha-trifluoro-4-tolyl acetic acid PubChem CID: 118342 IUPAC Name: 2-[4-(trifluoromethyl)phenyl]acetic acid SMILES: OC(=O)CC1=CC=C(C=C1)C(F)(F)F

PubChem CID 118342
CAS 32857-62-8
Molecular Weight (g/mol) 204.15
MDL Number MFCD00004352
SMILES OC(=O)CC1=CC=C(C=C1)C(F)(F)F
Synonym 4-trifluoromethyl phenylacetic acid,2-4-trifluoromethyl phenyl acetic acid,4-trifluoromethylphenylacetic acid,4-trifluoromethyl phenyl acetic acid,alpha,alpha,alpha-trifluoro-p-tolyl acetic acid,benzeneacetic acid, 4-trifluoromethyl,p-trifluoromethyl phenylacetic acid,p-trifluoromethylphenylacetic acid,alpha,alpha,alpha-trifluoro-4-tolyl acetic acid
IUPAC Name 2-[4-(trifluoromethyl)phenyl]acetic acid
InChI Key HNORVZDAANCHAY-UHFFFAOYSA-N
Molecular Formula C9H7F3O2
7

3,5-Bis(trifluoromethyl)benzeneboronic acid, 95%, Thermo Scientific Chemicals

CAS: 73852-19-4 Molecular Formula: C8H5BF6O2 Molecular Weight (g/mol): 257.93 MDL Number: MFCD00051850 InChI Key: BPTABBGLHGBJQR-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylboronic acid,3,5-bis trifluoromethyl benzeneboronic acid,3,5-bis trifluoromethyl phenyl boronic acid,3,5-bis-trifluoromethylphenylboronic acid,3,5-bis trifluoromethylphenyl boronic acid,3,5-bis trifluoromethyl phenylboroic acid,btfpba,3,5-bis trifluoromethyl phenyl boranediol PubChem CID: 156265 IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

PubChem CID 156265
CAS 73852-19-4
Molecular Weight (g/mol) 257.93
MDL Number MFCD00051850
SMILES OB(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Synonym 3,5-bis trifluoromethyl phenylboronic acid,3,5-bis trifluoromethyl benzeneboronic acid,3,5-bis trifluoromethyl phenyl boronic acid,3,5-bis-trifluoromethylphenylboronic acid,3,5-bis trifluoromethylphenyl boronic acid,3,5-bis trifluoromethyl phenylboroic acid,btfpba,3,5-bis trifluoromethyl phenyl boranediol
IUPAC Name [3,5-bis(trifluoromethyl)phenyl]boronic acid
InChI Key BPTABBGLHGBJQR-UHFFFAOYSA-N
Molecular Formula C8H5BF6O2
8

N-(4-Bromophenyl)-3-(trifluoromethyl)benzamide, 97%, Thermo Scientific™

CAS: 562080-79-9 Molecular Formula: C14H9BrF3NO Molecular Weight (g/mol): 344.13 MDL Number: MFCD03937564 InChI Key: JDUHFWWSDVISOZ-UHFFFAOYSA-N Synonym: n-4-bromophenyl-3-trifluoromethyl benzamide,benzamide, n-4-bromophenyl-3-trifluoromethyl,n-4-bromo-phenyl-3-trifluoromethyl-benzamide,n-4-bromophenyl 3-trifluoromethyl phenyl carboxamide PubChem CID: 531810 IUPAC Name: N-(4-bromophenyl)-3-(trifluoromethyl)benzamide SMILES: FC(F)(F)C1=CC=CC(=C1)C(=O)NC1=CC=C(Br)C=C1

PubChem CID 531810
CAS 562080-79-9
Molecular Weight (g/mol) 344.13
MDL Number MFCD03937564
SMILES FC(F)(F)C1=CC=CC(=C1)C(=O)NC1=CC=C(Br)C=C1
Synonym n-4-bromophenyl-3-trifluoromethyl benzamide,benzamide, n-4-bromophenyl-3-trifluoromethyl,n-4-bromo-phenyl-3-trifluoromethyl-benzamide,n-4-bromophenyl 3-trifluoromethyl phenyl carboxamide
IUPAC Name N-(4-bromophenyl)-3-(trifluoromethyl)benzamide
InChI Key JDUHFWWSDVISOZ-UHFFFAOYSA-N
Molecular Formula C14H9BrF3NO
9

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: fluoxetine hydrochloride,prozac,fluoxetine hcl,sarafem,flunirin,fluoxeren,adofen,fluctin,lovan 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

PubChem CID 62857
CAS 56296-78-7
Molecular Weight (g/mol) 345.79
MDL Number MFCD00214288
SMILES CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl
Synonym fluoxetine hydrochloride,prozac,fluoxetine hcl,sarafem,flunirin,fluoxeren,adofen,fluctin,lovan
IUPAC Name N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
InChI Key GIYXAJPCNFJEHY-UHFFFAOYSA-N
Molecular Formula C17H19ClF3NO
10

3-(Trifluoromethyl)styrene, 97+%, stabilized

CAS: 402-24-4 Molecular Formula: C9H7F3 Molecular Weight (g/mol): 172.15 MDL Number: MFCD00075481 InChI Key: ARHOUOIHKWELMD-UHFFFAOYSA-N Synonym: 3-trifluoromethyl styrene,1-trifluoromethyl-3-vinylbenzene,1-ethenyl-3-trifluoromethyl benzene,3-cf3c6h4ch=ch2,3-trifluoromethylstyren,3-vinylbenzotrifluoride,m-trifluoromethylstyrene,pubchem15477,3-trifluoromethylstyrene,1-trifluoromethyl-3-vinyl-benzene PubChem CID: 520986 IUPAC Name: 1-ethenyl-3-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC=CC(C=C)=C1

PubChem CID 520986
CAS 402-24-4
Molecular Weight (g/mol) 172.15
MDL Number MFCD00075481
SMILES FC(F)(F)C1=CC=CC(C=C)=C1
Synonym 3-trifluoromethyl styrene,1-trifluoromethyl-3-vinylbenzene,1-ethenyl-3-trifluoromethyl benzene,3-cf3c6h4ch=ch2,3-trifluoromethylstyren,3-vinylbenzotrifluoride,m-trifluoromethylstyrene,pubchem15477,3-trifluoromethylstyrene,1-trifluoromethyl-3-vinyl-benzene
IUPAC Name 1-ethenyl-3-(trifluoromethyl)benzene
InChI Key ARHOUOIHKWELMD-UHFFFAOYSA-N
Molecular Formula C9H7F3
11

4-(Trifluoromethyl)styrene, 98%, stab.

CAS: 402-50-6 Molecular Formula: C9H7F3 Molecular Weight (g/mol): 172.15 MDL Number: MFCD00075539 InChI Key: CEWDRCQPGANDRS-UHFFFAOYSA-N Synonym: 1-trifluoromethyl-4-vinylbenzene,4-trifluoromethyl styrene,4-trifluoromethylstyrene,1-ethenyl-4-trifluoromethyl benzene,4-vinylbenzotrifluoride,1-trifluoromethyl-4-vinyl-benzene,4-trifluoromethystyrene,p-trifluoromethylstyrene,pubchem15485,acmc-1aivr PubChem CID: 2782798 IUPAC Name: 1-ethenyl-4-(trifluoromethyl)benzene SMILES: C=CC1=CC=C(C=C1)C(F)(F)F

PubChem CID 2782798
CAS 402-50-6
Molecular Weight (g/mol) 172.15
MDL Number MFCD00075539
SMILES C=CC1=CC=C(C=C1)C(F)(F)F
Synonym 1-trifluoromethyl-4-vinylbenzene,4-trifluoromethyl styrene,4-trifluoromethylstyrene,1-ethenyl-4-trifluoromethyl benzene,4-vinylbenzotrifluoride,1-trifluoromethyl-4-vinyl-benzene,4-trifluoromethystyrene,p-trifluoromethylstyrene,pubchem15485,acmc-1aivr
IUPAC Name 1-ethenyl-4-(trifluoromethyl)benzene
InChI Key CEWDRCQPGANDRS-UHFFFAOYSA-N
Molecular Formula C9H7F3
12

alpha,alpha,alpha-Trifluorotoluene, 99+%

CAS: 98-08-8 Molecular Formula: C7H5F3 Molecular Weight (g/mol): 146.11 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) 146.11
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
13

3-(Trifluoromethyl)benzylamine, 98%

CAS: 2740-83-2 Molecular Formula: C8H8F3N Molecular Weight (g/mol): 175.15 MDL Number: MFCD00008117 InChI Key: YKNZTUQUXUXTLE-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzylamine,3-trifluoromethyl phenyl methanamine,3-trifluoromethylbenzylamine,m-trifluoromethylbenzylamine,m-trifluoromethylbenzyl amine,3-trifluoromethyl benzyl amine,benzenemethanamine, 3-trifluoromethyl,3-trifluoromethyl-benzylamine,m-trifluoromethyl benzylamine PubChem CID: 75962 IUPAC Name: [3-(trifluoromethyl)phenyl]methanamine SMILES: C1=CC(=CC(=C1)C(F)(F)F)CN

PubChem CID 75962
CAS 2740-83-2
Molecular Weight (g/mol) 175.15
MDL Number MFCD00008117
SMILES C1=CC(=CC(=C1)C(F)(F)F)CN
Synonym 3-trifluoromethyl benzylamine,3-trifluoromethyl phenyl methanamine,3-trifluoromethylbenzylamine,m-trifluoromethylbenzylamine,m-trifluoromethylbenzyl amine,3-trifluoromethyl benzyl amine,benzenemethanamine, 3-trifluoromethyl,3-trifluoromethyl-benzylamine,m-trifluoromethyl benzylamine
IUPAC Name [3-(trifluoromethyl)phenyl]methanamine
InChI Key YKNZTUQUXUXTLE-UHFFFAOYSA-N
Molecular Formula C8H8F3N
14

2-(Trifluoromethyl)benzylamine, 98%

CAS: 3048-01-9 Molecular Formula: C8H8F3N Molecular Weight (g/mol): 175.16 MDL Number: MFCD00010297 InChI Key: ZSKQIFWUTUZAGF-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzylamine,2-trifluoromethylbenzylamine,2-trifluoromethyl phenyl methanamine,o-trifluoromethylbenzyl amine,o-trifluoromethylbenzylamine,2-trifluoromethyl-benzylamine,1-2-trifluoromethyl phenyl methanamine,benzenemethanamine, 2-trifluoromethyl,o-trifluoromethyl benzylamine PubChem CID: 76447 IUPAC Name: [2-(trifluoromethyl)phenyl]methanamine SMILES: C1=CC=C(C(=C1)CN)C(F)(F)F

PubChem CID 76447
CAS 3048-01-9
Molecular Weight (g/mol) 175.16
MDL Number MFCD00010297
SMILES C1=CC=C(C(=C1)CN)C(F)(F)F
Synonym 2-trifluoromethyl benzylamine,2-trifluoromethylbenzylamine,2-trifluoromethyl phenyl methanamine,o-trifluoromethylbenzyl amine,o-trifluoromethylbenzylamine,2-trifluoromethyl-benzylamine,1-2-trifluoromethyl phenyl methanamine,benzenemethanamine, 2-trifluoromethyl,o-trifluoromethyl benzylamine
IUPAC Name [2-(trifluoromethyl)phenyl]methanamine
InChI Key ZSKQIFWUTUZAGF-UHFFFAOYSA-N
Molecular Formula C8H8F3N
15

Ethyl 4-(trifluoromethyl)benzoate, 99%

CAS: 583-02-8 Molecular Formula: C10H9F3O2 Molecular Weight (g/mol): 218.175 MDL Number: MFCD00013563 InChI Key: ZQDADDSPMCHZPX-UHFFFAOYSA-N Synonym: ethyl 4-trifluoromethyl benzoate,4-trifluoromethyl benzoic acid ethyl ester,4-trifluoromethylbenzoic acid, ethyl ester,pubchem16913,acmc-1cs5c,ethyl-p-trifluoromethylbenzoate,ethyl-4-trifluoromethyl benzoate,4-trifluoromethylbenzoic acid ethyl ester PubChem CID: 521827 IUPAC Name: ethyl 4-(trifluoromethyl)benzoate SMILES: CCOC(=O)C1=CC=C(C=C1)C(F)(F)F

PubChem CID 521827
CAS 583-02-8
Molecular Weight (g/mol) 218.175
MDL Number MFCD00013563
SMILES CCOC(=O)C1=CC=C(C=C1)C(F)(F)F
Synonym ethyl 4-trifluoromethyl benzoate,4-trifluoromethyl benzoic acid ethyl ester,4-trifluoromethylbenzoic acid, ethyl ester,pubchem16913,acmc-1cs5c,ethyl-p-trifluoromethylbenzoate,ethyl-4-trifluoromethyl benzoate,4-trifluoromethylbenzoic acid ethyl ester
IUPAC Name ethyl 4-(trifluoromethyl)benzoate
InChI Key ZQDADDSPMCHZPX-UHFFFAOYSA-N
Molecular Formula C10H9F3O2