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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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2

3,5-Di(trifluoromethyl)benzoic acid, Tech., Thermo Scientific™

CAS: 725-89-3 Molecular Formula: C9H4F6O2 Molecular Weight (g/mol): 258.12 MDL Number: MFCD00000388 InChI Key: HVFQJWGYVXKLTE-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzoic acid,3,5-di trifluoromethyl benzoic acid,benzoic acid, 3,5-bis trifluoromethyl,bis 3,5-trifluoromethyl benzoic acid,mbt-boa,3,5-bis-trifluoromethyl-benzoic acid,3,5-bis-trifluoromethyl benzoic acid,3.5-bis trifluoromethyl benzoic acid,pubchem2725 PubChem CID: 12889 IUPAC Name: 3,5-bis(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

PubChem CID 12889
CAS 725-89-3
Molecular Weight (g/mol) 258.12
MDL Number MFCD00000388
SMILES OC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Synonym 3,5-bis trifluoromethyl benzoic acid,3,5-di trifluoromethyl benzoic acid,benzoic acid, 3,5-bis trifluoromethyl,bis 3,5-trifluoromethyl benzoic acid,mbt-boa,3,5-bis-trifluoromethyl-benzoic acid,3,5-bis-trifluoromethyl benzoic acid,3.5-bis trifluoromethyl benzoic acid,pubchem2725
IUPAC Name 3,5-bis(trifluoromethyl)benzoic acid
InChI Key HVFQJWGYVXKLTE-UHFFFAOYSA-N
Molecular Formula C9H4F6O2
3

5-chloro-2-nitro-4-(trifluoromethyl)aniline, 97%, Thermo Scientific™

CAS: 35375-74-7 Molecular Formula: C7H4ClF3N2O2 Molecular Weight (g/mol): 240.566 MDL Number: MFCD01312277 InChI Key: AAMCWLIPRMIPBN-UHFFFAOYSA-N Synonym: 5-chloro-2-nitro-4-trifluoromethyl aniline,4-amino-2-chloro-5-nitrobenzotrifluoride,5-chloro-2-nitro-4-trifluoromethyl benzenamine,3-chloro-6-nitro-4-trifluoromethyl aniline,5-chloro-2-nitro-4-trifluoromethyl-phenylamine,5-chloro-2-nitro-4-trifluoromethyl phenylamine,5-chloro-4-trifluoromethyl-2-nitroaniline,benzenamine, 5-chloro-2-nitro-4-trifluoromethyl,5-chloro-2-nitro-4-trifluoromethylphenyl amine,pubchem2803 PubChem CID: 2773813 IUPAC Name: 5-chloro-2-nitro-4-(trifluoromethyl)aniline SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])N)Cl)C(F)(F)F

PubChem CID 2773813
CAS 35375-74-7
Molecular Weight (g/mol) 240.566
MDL Number MFCD01312277
SMILES C1=C(C(=CC(=C1[N+](=O)[O-])N)Cl)C(F)(F)F
Synonym 5-chloro-2-nitro-4-trifluoromethyl aniline,4-amino-2-chloro-5-nitrobenzotrifluoride,5-chloro-2-nitro-4-trifluoromethyl benzenamine,3-chloro-6-nitro-4-trifluoromethyl aniline,5-chloro-2-nitro-4-trifluoromethyl-phenylamine,5-chloro-2-nitro-4-trifluoromethyl phenylamine,5-chloro-4-trifluoromethyl-2-nitroaniline,benzenamine, 5-chloro-2-nitro-4-trifluoromethyl,5-chloro-2-nitro-4-trifluoromethylphenyl amine,pubchem2803
IUPAC Name 5-chloro-2-nitro-4-(trifluoromethyl)aniline
InChI Key AAMCWLIPRMIPBN-UHFFFAOYSA-N
Molecular Formula C7H4ClF3N2O2
4

2,6-Dichloro-4-(trifluoromethyl)benzonitrile, 97%, Thermo Scientific™

CAS: 157021-61-9 Molecular Formula: C8H2Cl2F3N Molecular Weight (g/mol): 240.006 MDL Number: MFCD00220879 InChI Key: NCXSSFQXQAOREM-UHFFFAOYSA-N Synonym: 2,6-dichloro-4-trifluoromethyl benzonitrile,4-cyano-3,5-dichlorobenzotrifluoride,benzonitrile,2,6-dichloro-4-trifluoromethyl,2,6-dichloro-4-trifluoromethyl benzenecarbonitrile,buttpark 14550-33,intermediates-zcf02189,ncxssfqxqaorem-uhfffaoysa,buttpark 145\50-33 PubChem CID: 2736870 IUPAC Name: 2,6-dichloro-4-(trifluoromethyl)benzonitrile SMILES: C1=C(C=C(C(=C1Cl)C#N)Cl)C(F)(F)F

PubChem CID 2736870
CAS 157021-61-9
Molecular Weight (g/mol) 240.006
MDL Number MFCD00220879
SMILES C1=C(C=C(C(=C1Cl)C#N)Cl)C(F)(F)F
Synonym 2,6-dichloro-4-trifluoromethyl benzonitrile,4-cyano-3,5-dichlorobenzotrifluoride,benzonitrile,2,6-dichloro-4-trifluoromethyl,2,6-dichloro-4-trifluoromethyl benzenecarbonitrile,buttpark 14550-33,intermediates-zcf02189,ncxssfqxqaorem-uhfffaoysa,buttpark 145\50-33
IUPAC Name 2,6-dichloro-4-(trifluoromethyl)benzonitrile
InChI Key NCXSSFQXQAOREM-UHFFFAOYSA-N
Molecular Formula C8H2Cl2F3N
5

[3-(Trifluoromethyl)phenyl]methanethiol, Tech., Thermo Scientific™

CAS: 25697-55-6 Molecular Formula: C8H7F3S Molecular Weight (g/mol): 192.199 MDL Number: MFCD00042435 InChI Key: CQIQWIMXCPTQPJ-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzyl mercaptan,3-trifluoromethyl phenyl methanethiol,3-trifluoromethylbenzyl mercaptan,3-trifluoromethyl phenylmethanethiol,3-trifluoromethyl benzylthiol,m-trifluoromethylbenzyl mercaptan,3-trifluoromethyl benzylmercaptan,3-trifluoromethyl phenyl methane-1-thiol,acmc-1cnzu PubChem CID: 141236 IUPAC Name: [3-(trifluoromethyl)phenyl]methanethiol SMILES: C1=CC(=CC(=C1)C(F)(F)F)CS

PubChem CID 141236
CAS 25697-55-6
Molecular Weight (g/mol) 192.199
MDL Number MFCD00042435
SMILES C1=CC(=CC(=C1)C(F)(F)F)CS
Synonym 3-trifluoromethyl benzyl mercaptan,3-trifluoromethyl phenyl methanethiol,3-trifluoromethylbenzyl mercaptan,3-trifluoromethyl phenylmethanethiol,3-trifluoromethyl benzylthiol,m-trifluoromethylbenzyl mercaptan,3-trifluoromethyl benzylmercaptan,3-trifluoromethyl phenyl methane-1-thiol,acmc-1cnzu
IUPAC Name [3-(trifluoromethyl)phenyl]methanethiol
InChI Key CQIQWIMXCPTQPJ-UHFFFAOYSA-N
Molecular Formula C8H7F3S
6

2,6-Dibromo-4-(trifluoromethyl)aniline, 97%, Thermo Scientific™

CAS: 72678-19-4 Molecular Formula: C7H4Br2F3N Molecular Weight (g/mol): 318.919 MDL Number: MFCD00068181 InChI Key: DRSMEHXBOXHXDX-UHFFFAOYSA-N PubChem CID: 144565 IUPAC Name: 2,6-dibromo-4-(trifluoromethyl)aniline SMILES: C1=C(C=C(C(=C1Br)N)Br)C(F)(F)F

PubChem CID 144565
CAS 72678-19-4
Molecular Weight (g/mol) 318.919
MDL Number MFCD00068181
SMILES C1=C(C=C(C(=C1Br)N)Br)C(F)(F)F
IUPAC Name 2,6-dibromo-4-(trifluoromethyl)aniline
InChI Key DRSMEHXBOXHXDX-UHFFFAOYSA-N
Molecular Formula C7H4Br2F3N
7

1-[2-Chloro-5-(trifluoromethyl)phenyl]hydrazine, ≥95%, Thermo Scientific™

CAS: 1869-22-3 Molecular Formula: C7H6ClF3N2 Molecular Weight (g/mol): 210.584 MDL Number: MFCD00052685 InChI Key: PAPSYPXQNRTIRR-UHFFFAOYSA-N Synonym: 1-2-chloro-5-trifluoromethyl phenyl hydrazine,2-chloro-5-trifluoromethyl phenyl hydrazine,2-chloro-5-trifluoromethyl phenylhydrazine,hydrazine, 2-chloro-5-trifluoromethyl phenyl,4-chloro-3-hydrazinobenzotrifluoride,2-chloro-5-trifluoromethylphenylhydrazine PubChem CID: 2060249 IUPAC Name: [2-chloro-5-(trifluoromethyl)phenyl]hydrazine SMILES: C1=CC(=C(C=C1C(F)(F)F)NN)Cl

PubChem CID 2060249
CAS 1869-22-3
Molecular Weight (g/mol) 210.584
MDL Number MFCD00052685
SMILES C1=CC(=C(C=C1C(F)(F)F)NN)Cl
Synonym 1-2-chloro-5-trifluoromethyl phenyl hydrazine,2-chloro-5-trifluoromethyl phenyl hydrazine,2-chloro-5-trifluoromethyl phenylhydrazine,hydrazine, 2-chloro-5-trifluoromethyl phenyl,4-chloro-3-hydrazinobenzotrifluoride,2-chloro-5-trifluoromethylphenylhydrazine
IUPAC Name [2-chloro-5-(trifluoromethyl)phenyl]hydrazine
InChI Key PAPSYPXQNRTIRR-UHFFFAOYSA-N
Molecular Formula C7H6ClF3N2
10

[3-(Trifluoromethyl)phenyl]methanesulfonyl chloride, 90%, Thermo Scientific™

CAS: 127162-96-3 Molecular Formula: C8H6ClF3O2S Molecular Weight (g/mol): 258.639 MDL Number: MFCD01631926 InChI Key: WIGCBGFBBRJTLS-UHFFFAOYSA-N Synonym: 3-trifluoromethylbenzylsulfonyl chloride,3-trifluoromethyl phenyl methanesulfonyl chloride,3-trifluoromethylbenzylsulfonylchloride,3-trifluoromethyl phenyl methyl sulfonyl chloride,3-chlorosulphonyl methyl benzotrifluoride,3-trifluoromethyl phenylmethanesulfonyl chloride,3-trifluoromethyl phenyl methylsulphonyl chloride,3-trifluoromethyl benzylsulphonyl chloride,3-trifluoromethyl phenyl methyl sulfonylchloride PubChem CID: 2794646 IUPAC Name: [3-(trifluoromethyl)phenyl]methanesulfonyl chloride SMILES: C1=CC(=CC(=C1)C(F)(F)F)CS(=O)(=O)Cl

PubChem CID 2794646
CAS 127162-96-3
Molecular Weight (g/mol) 258.639
MDL Number MFCD01631926
SMILES C1=CC(=CC(=C1)C(F)(F)F)CS(=O)(=O)Cl
Synonym 3-trifluoromethylbenzylsulfonyl chloride,3-trifluoromethyl phenyl methanesulfonyl chloride,3-trifluoromethylbenzylsulfonylchloride,3-trifluoromethyl phenyl methyl sulfonyl chloride,3-chlorosulphonyl methyl benzotrifluoride,3-trifluoromethyl phenylmethanesulfonyl chloride,3-trifluoromethyl phenyl methylsulphonyl chloride,3-trifluoromethyl benzylsulphonyl chloride,3-trifluoromethyl phenyl methyl sulfonylchloride
IUPAC Name [3-(trifluoromethyl)phenyl]methanesulfonyl chloride
InChI Key WIGCBGFBBRJTLS-UHFFFAOYSA-N
Molecular Formula C8H6ClF3O2S
11

4-Chloro-3-(trifluoromethyl)benzenesulfonyl chloride, 97%, Thermo Scientific™

CAS: 32333-53-2 Molecular Formula: C7H3Cl2F3O2S Molecular Weight (g/mol): 279.054 MDL Number: MFCD00024882 InChI Key: SSULGNXFUGLULI-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzene-1-sulfonyl chloride,4-chloro-3-trifluoromethyl-benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulphonyl chloride,4-chloro-5-trifluoromethyl benzenesulfonyl chloride,benzenesulfonyl chloride, 4-chloro-3-trifluoromethyl,ksc222e0j,4-chloro-3-trifluoromethylbenzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulfonyl chlori PubChem CID: 2780719 IUPAC Name: 4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride SMILES: C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)Cl

PubChem CID 2780719
CAS 32333-53-2
Molecular Weight (g/mol) 279.054
MDL Number MFCD00024882
SMILES C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)Cl
Synonym 4-chloro-3-trifluoromethyl benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzene-1-sulfonyl chloride,4-chloro-3-trifluoromethyl-benzenesulfonyl chloride,4-chloro-3-trifluoromethyl benzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulphonyl chloride,4-chloro-5-trifluoromethyl benzenesulfonyl chloride,benzenesulfonyl chloride, 4-chloro-3-trifluoromethyl,ksc222e0j,4-chloro-3-trifluoromethylbenzenesulfonylchloride,4-chloro-3-trifluoromethyl benzenesulfonyl chlori
IUPAC Name 4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride
InChI Key SSULGNXFUGLULI-UHFFFAOYSA-N
Molecular Formula C7H3Cl2F3O2S
12

2-chloro-4-(trifluoromethyl)benzene-1-sulfonyl chloride, 97%, Thermo Scientific™

CAS: 175205-54-6 Molecular Formula: C7H3Cl2F3O2S Molecular Weight (g/mol): 279.05 MDL Number: MFCD00052912 InChI Key: NJXDBSSSDPOAFI-UHFFFAOYSA-N Synonym: 2-chloro-4-trifluoromethyl benzene-1-sulfonyl chloride,2-chloro-4-trifluoromethyl benzenesulfonyl chloride,2-chloro-4-trifluoromethyl benzenesulphonylchloride,2-chloro-4-trifluoromethyl benzenesulphonyl chloride,2-chloro-4-trifluoromethyl benzenesulfonylchloride,2-chloro-4-trifluoromethyl benzenesulfonyl,2-chloro-4-trifluoromethyl-benzenesulfonyl chloride,benzenesulfonyl chloride, 2-chloro-4-trifluoromethyl,pubchem5104,acmc-1bwmt PubChem CID: 2736675 SMILES: FC(F)(F)C1=CC(Cl)=C(C=C1)S(Cl)(=O)=O

PubChem CID 2736675
CAS 175205-54-6
Molecular Weight (g/mol) 279.05
MDL Number MFCD00052912
SMILES FC(F)(F)C1=CC(Cl)=C(C=C1)S(Cl)(=O)=O
Synonym 2-chloro-4-trifluoromethyl benzene-1-sulfonyl chloride,2-chloro-4-trifluoromethyl benzenesulfonyl chloride,2-chloro-4-trifluoromethyl benzenesulphonylchloride,2-chloro-4-trifluoromethyl benzenesulphonyl chloride,2-chloro-4-trifluoromethyl benzenesulfonylchloride,2-chloro-4-trifluoromethyl benzenesulfonyl,2-chloro-4-trifluoromethyl-benzenesulfonyl chloride,benzenesulfonyl chloride, 2-chloro-4-trifluoromethyl,pubchem5104,acmc-1bwmt
InChI Key NJXDBSSSDPOAFI-UHFFFAOYSA-N
Molecular Formula C7H3Cl2F3O2S
13

3,5-Bis(trifluoromethyl)benzenecarboximidamide hydrochloride, ≥95%, Thermo Scientific™

CAS: 97603-94-6 Molecular Formula: C9H7ClF6N2 Molecular Weight (g/mol): 292.609 MDL Number: MFCD00276604 InChI Key: GOCQSQHVIVLYOG-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzamidine hydrochloride,3,5-bis trifluoromethyl benzenecarboximidamide hydrochloride,acmc-20andy,3,5-bis trifluoromethyl benzimidamide hydrochloride,3,5-bis trifluoromethyl benzenecarboxamidine, chloride,3,5-bis trifluoromethyl benzene-1-carboximidamide-hydrogen chloride 1/1 PubChem CID: 13590400 IUPAC Name: 3,5-bis(trifluoromethyl)benzenecarboximidamide;hydrochloride SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=N)N.Cl

PubChem CID 13590400
CAS 97603-94-6
Molecular Weight (g/mol) 292.609
MDL Number MFCD00276604
SMILES C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=N)N.Cl
Synonym 3,5-bis trifluoromethyl benzamidine hydrochloride,3,5-bis trifluoromethyl benzenecarboximidamide hydrochloride,acmc-20andy,3,5-bis trifluoromethyl benzimidamide hydrochloride,3,5-bis trifluoromethyl benzenecarboxamidine, chloride,3,5-bis trifluoromethyl benzene-1-carboximidamide-hydrogen chloride 1/1
IUPAC Name 3,5-bis(trifluoromethyl)benzenecarboximidamide;hydrochloride
InChI Key GOCQSQHVIVLYOG-UHFFFAOYSA-N
Molecular Formula C9H7ClF6N2
14

Tributyl[3-(trifluoromethyl)phenyl]stannane, Tech., Thermo Scientific™

CAS: 53566-38-4 Molecular Formula: C19H31F3Sn Molecular Weight (g/mol): 435.162 MDL Number: MFCD01934759 InChI Key: LBIOKWLHIBBLEI-UHFFFAOYSA-N Synonym: tributyl 3-trifluoromethyl phenyl stannane,tributyl-3-trifluoromethyl phenyl stannane,3-tributylstannyl benzotrifluoride,3-trifluoromethyl tri-n-butylstannyl benzene,tributyl-3-trifluoromethyl-phenyl-stannane,tributyl-3-trifluoromethyl phenyl-stannane PubChem CID: 2777910 IUPAC Name: tributyl-[3-(trifluoromethyl)phenyl]stannane SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC=CC(=C1)C(F)(F)F

PubChem CID 2777910
CAS 53566-38-4
Molecular Weight (g/mol) 435.162
MDL Number MFCD01934759
SMILES CCCC[Sn](CCCC)(CCCC)C1=CC=CC(=C1)C(F)(F)F
Synonym tributyl 3-trifluoromethyl phenyl stannane,tributyl-3-trifluoromethyl phenyl stannane,3-tributylstannyl benzotrifluoride,3-trifluoromethyl tri-n-butylstannyl benzene,tributyl-3-trifluoromethyl-phenyl-stannane,tributyl-3-trifluoromethyl phenyl-stannane
IUPAC Name tributyl-[3-(trifluoromethyl)phenyl]stannane
InChI Key LBIOKWLHIBBLEI-UHFFFAOYSA-N
Molecular Formula C19H31F3Sn
15

5-Bromo-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole, ≥97%, Thermo Scientific™

CAS: 850375-27-8 Molecular Formula: C11H7BrF3NS Molecular Weight (g/mol): 322.143 MDL Number: MFCD04974053 InChI Key: BZCIYGNYGIKEEC-UHFFFAOYSA-N Synonym: 5-bromo-4-methyl-2-4-trifluoromethyl phenyl-1,3-thiazole,5-bromo-4-methyl-2-4-trifluoromethyl-phenyl-1,3-thiazole,5-bromo-4-methyl-2-4-trifluoromethyl phenyl thiazole,5-bromanyl-4-methyl-2-4-trifluoromethyl phenyl-1,3-thiazole PubChem CID: 2824063 IUPAC Name: 5-bromo-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole SMILES: CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)Br

PubChem CID 2824063
CAS 850375-27-8
Molecular Weight (g/mol) 322.143
MDL Number MFCD04974053
SMILES CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)Br
Synonym 5-bromo-4-methyl-2-4-trifluoromethyl phenyl-1,3-thiazole,5-bromo-4-methyl-2-4-trifluoromethyl-phenyl-1,3-thiazole,5-bromo-4-methyl-2-4-trifluoromethyl phenyl thiazole,5-bromanyl-4-methyl-2-4-trifluoromethyl phenyl-1,3-thiazole
IUPAC Name 5-bromo-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
InChI Key BZCIYGNYGIKEEC-UHFFFAOYSA-N
Molecular Formula C11H7BrF3NS