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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

2-Iodo-4-(trifluoromethyl)aniline 98.0+%, TCI America™

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

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
2

3-Hydroxybenzotrifluoride 98.0+%, TCI America™

CAS: 98-17-9 Molecular Formula: C7H5F3O Molecular Weight (g/mol): 162.111 MDL Number: MFCD00002299 InChI Key: UGEJOEBBMPOJMT-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenol,3-hydroxybenzotrifluoride,m-trifluoromethylphenol,m-hydroxybenzotrifluoride,phenol, 3-trifluoromethyl,m-trifluoromethyl phenol,alpha,alpha,alpha-trifluoro-m-cresol,a,a,a-trifluoro-m-cresol PubChem CID: 7376 IUPAC Name: 3-(trifluoromethyl)phenol SMILES: C1=CC(=CC(=C1)O)C(F)(F)F

PubChem CID 7376
CAS 98-17-9
Molecular Weight (g/mol) 162.111
MDL Number MFCD00002299
SMILES C1=CC(=CC(=C1)O)C(F)(F)F
Synonym 3-trifluoromethyl phenol,3-hydroxybenzotrifluoride,m-trifluoromethylphenol,m-hydroxybenzotrifluoride,phenol, 3-trifluoromethyl,m-trifluoromethyl phenol,alpha,alpha,alpha-trifluoro-m-cresol,a,a,a-trifluoro-m-cresol
IUPAC Name 3-(trifluoromethyl)phenol
InChI Key UGEJOEBBMPOJMT-UHFFFAOYSA-N
Molecular Formula C7H5F3O
3

4-Chloro-3-nitrobenzotrifluoride 97.0+%, TCI America™

CAS: 121-17-5 Molecular Formula: C7H3ClF3NO2 Molecular Weight (g/mol): 225.55 MDL Number: MFCD00007084 InChI Key: TZGFQIXRVUHDLE-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrobenzotrifluoride,1-chloro-2-nitro-4-trifluoromethyl benzene,3-nitro-4-chlorobenzotrifluoride,2-chloro-5-trifluoromethyl nitrobenzene,benzene, 1-chloro-2-nitro-4-trifluoromethyl,cmnt,2-nitro-4-trifluoromethylchlorobenzene,3-nitro-4-chlorotrifluoromethylbenzene,4-chloro-3-nitro-a,a,a-trifluorotoluene,4-chloro-3-nitrobenzylidyne fluoride PubChem CID: 8462 IUPAC Name: 1-chloro-2-nitro-4-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC(=CC=C1Cl)C(F)(F)F

PubChem CID 8462
CAS 121-17-5
Molecular Weight (g/mol) 225.55
MDL Number MFCD00007084
SMILES [O-][N+](=O)C1=CC(=CC=C1Cl)C(F)(F)F
Synonym 4-chloro-3-nitrobenzotrifluoride,1-chloro-2-nitro-4-trifluoromethyl benzene,3-nitro-4-chlorobenzotrifluoride,2-chloro-5-trifluoromethyl nitrobenzene,benzene, 1-chloro-2-nitro-4-trifluoromethyl,cmnt,2-nitro-4-trifluoromethylchlorobenzene,3-nitro-4-chlorotrifluoromethylbenzene,4-chloro-3-nitro-a,a,a-trifluorotoluene,4-chloro-3-nitrobenzylidyne fluoride
IUPAC Name 1-chloro-2-nitro-4-(trifluoromethyl)benzene
InChI Key TZGFQIXRVUHDLE-UHFFFAOYSA-N
Molecular Formula C7H3ClF3NO2
4
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3-(Trifluoromethyl)thiobenzamide, 97%

CAS: 53515-17-6 Molecular Formula: C8H6F3NS Molecular Weight (g/mol): 205.20 MDL Number: MFCD01567258 InChI Key: WOJQBHSZMFRQIR-UHFFFAOYSA-N Synonym: 3-trifluoromethyl thiobenzamide,3-trifluoromethylthiobenzamide,3-trifluoromethyl benzenecarbothioamide,3-trifluoromethyl benzene-1-carbothioamide,3-trifluoromethyl-thiobenzamide,amino 3-trifluoromethyl phenyl methane-1-thione,acmc-20amye,pubchem5483,maybridge1_008312 PubChem CID: 2777849 IUPAC Name: 3-(trifluoromethyl)benzenecarbothioamide SMILES: NC(=S)C1=CC(=CC=C1)C(F)(F)F

PubChem CID 2777849
CAS 53515-17-6
Molecular Weight (g/mol) 205.20
MDL Number MFCD01567258
SMILES NC(=S)C1=CC(=CC=C1)C(F)(F)F
Synonym 3-trifluoromethyl thiobenzamide,3-trifluoromethylthiobenzamide,3-trifluoromethyl benzenecarbothioamide,3-trifluoromethyl benzene-1-carbothioamide,3-trifluoromethyl-thiobenzamide,amino 3-trifluoromethyl phenyl methane-1-thione,acmc-20amye,pubchem5483,maybridge1_008312
IUPAC Name 3-(trifluoromethyl)benzenecarbothioamide
InChI Key WOJQBHSZMFRQIR-UHFFFAOYSA-N
Molecular Formula C8H6F3NS
5
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3-(Trifluoromethyl)phenol, 98+%

CAS: 98-17-9 Molecular Formula: C7H5F3O Molecular Weight (g/mol): 162.111 MDL Number: MFCD00002299 InChI Key: UGEJOEBBMPOJMT-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenol,3-hydroxybenzotrifluoride,m-trifluoromethylphenol,m-hydroxybenzotrifluoride,phenol, 3-trifluoromethyl,m-trifluoromethyl phenol,alpha,alpha,alpha-trifluoro-m-cresol,a,a,a-trifluoro-m-cresol PubChem CID: 7376 IUPAC Name: 3-(trifluoromethyl)phenol SMILES: C1=CC(=CC(=C1)O)C(F)(F)F

PubChem CID 7376
CAS 98-17-9
Molecular Weight (g/mol) 162.111
MDL Number MFCD00002299
SMILES C1=CC(=CC(=C1)O)C(F)(F)F
Synonym 3-trifluoromethyl phenol,3-hydroxybenzotrifluoride,m-trifluoromethylphenol,m-hydroxybenzotrifluoride,phenol, 3-trifluoromethyl,m-trifluoromethyl phenol,alpha,alpha,alpha-trifluoro-m-cresol,a,a,a-trifluoro-m-cresol
IUPAC Name 3-(trifluoromethyl)phenol
InChI Key UGEJOEBBMPOJMT-UHFFFAOYSA-N
Molecular Formula C7H5F3O
6

2-Aminobenzotrifluoride 98.0+%, TCI America™

CAS: 88-17-5 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.127 MDL Number: MFCD00007718 InChI Key: VBLXCTYLWZJBKA-UHFFFAOYSA-N Synonym: 2-trifluoromethyl aniline,2-aminobenzotrifluoride,o-aminobenzotrifluoride,o-trifluoromethyl aniline,o-trifluoromethylaniline,benzenamine, 2-trifluoromethyl,2-trifluoromethyl benzenamine,alpha,alpha,alpha-trifluoro-o-toluidine,2-aminotrifluorotoluene,2-aminotrifluoromethylbenzene PubChem CID: 6922 IUPAC Name: 2-(trifluoromethyl)aniline SMILES: C1=CC=C(C(=C1)C(F)(F)F)N

PubChem CID 6922
CAS 88-17-5
Molecular Weight (g/mol) 161.127
MDL Number MFCD00007718
SMILES C1=CC=C(C(=C1)C(F)(F)F)N
Synonym 2-trifluoromethyl aniline,2-aminobenzotrifluoride,o-aminobenzotrifluoride,o-trifluoromethyl aniline,o-trifluoromethylaniline,benzenamine, 2-trifluoromethyl,2-trifluoromethyl benzenamine,alpha,alpha,alpha-trifluoro-o-toluidine,2-aminotrifluorotoluene,2-aminotrifluoromethylbenzene
IUPAC Name 2-(trifluoromethyl)aniline
InChI Key VBLXCTYLWZJBKA-UHFFFAOYSA-N
Molecular Formula C7H6F3N
7
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alpha,alpha,alpha-Trifluoro-m-cresol, 98+%

CAS: 98-17-9 Molecular Formula: C7H5F3O Molecular Weight (g/mol): 162.11 MDL Number: MFCD00002299 InChI Key: UGEJOEBBMPOJMT-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenol,3-hydroxybenzotrifluoride,m-trifluoromethylphenol,m-hydroxybenzotrifluoride,phenol, 3-trifluoromethyl,m-trifluoromethyl phenol,alpha,alpha,alpha-trifluoro-m-cresol,a,a,a-trifluoro-m-cresol PubChem CID: 7376 IUPAC Name: 3-(trifluoromethyl)phenol SMILES: C1=CC(=CC(=C1)O)C(F)(F)F

PubChem CID 7376
CAS 98-17-9
Molecular Weight (g/mol) 162.11
MDL Number MFCD00002299
SMILES C1=CC(=CC(=C1)O)C(F)(F)F
Synonym 3-trifluoromethyl phenol,3-hydroxybenzotrifluoride,m-trifluoromethylphenol,m-hydroxybenzotrifluoride,phenol, 3-trifluoromethyl,m-trifluoromethyl phenol,alpha,alpha,alpha-trifluoro-m-cresol,a,a,a-trifluoro-m-cresol
IUPAC Name 3-(trifluoromethyl)phenol
InChI Key UGEJOEBBMPOJMT-UHFFFAOYSA-N
Molecular Formula C7H5F3O
8
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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

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
9
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4-Chloro-3-nitrobenzotrifluoride, 98%, Thermo Scientific™

CAS: 121-17-5 Molecular Formula: C7H3ClF3NO2 Molecular Weight (g/mol): 225.55 MDL Number: MFCD00007084 InChI Key: TZGFQIXRVUHDLE-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrobenzotrifluoride,1-chloro-2-nitro-4-trifluoromethyl benzene,3-nitro-4-chlorobenzotrifluoride,2-chloro-5-trifluoromethyl nitrobenzene,benzene, 1-chloro-2-nitro-4-trifluoromethyl,cmnt,2-nitro-4-trifluoromethylchlorobenzene,3-nitro-4-chlorotrifluoromethylbenzene,4-chloro-3-nitro-a,a,a-trifluorotoluene,4-chloro-3-nitrobenzylidyne fluoride PubChem CID: 8462 IUPAC Name: 1-chloro-2-nitro-4-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC(=CC=C1Cl)C(F)(F)F

PubChem CID 8462
CAS 121-17-5
Molecular Weight (g/mol) 225.55
MDL Number MFCD00007084
SMILES [O-][N+](=O)C1=CC(=CC=C1Cl)C(F)(F)F
Synonym 4-chloro-3-nitrobenzotrifluoride,1-chloro-2-nitro-4-trifluoromethyl benzene,3-nitro-4-chlorobenzotrifluoride,2-chloro-5-trifluoromethyl nitrobenzene,benzene, 1-chloro-2-nitro-4-trifluoromethyl,cmnt,2-nitro-4-trifluoromethylchlorobenzene,3-nitro-4-chlorotrifluoromethylbenzene,4-chloro-3-nitro-a,a,a-trifluorotoluene,4-chloro-3-nitrobenzylidyne fluoride
IUPAC Name 1-chloro-2-nitro-4-(trifluoromethyl)benzene
InChI Key TZGFQIXRVUHDLE-UHFFFAOYSA-N
Molecular Formula C7H3ClF3NO2
10

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

CAS: 112981-69-8 Molecular Formula: C8H3BrF6Mg Molecular Weight (g/mol): 317.31 MDL Number: MFCD07369723 InChI Key: FTKNONULORTDRS-UHFFFAOYSA-M Synonym: magnesium, 3,5-bis trifluoromethyl phenyl bromo,3,5-bis trifluoromethyl phenylmagnesiumbromide,3,5-bis trifluoromethyl phenylmagnesium bromide,3,5-bis trifluoromethyl phenylmagnesium bromide solution,acmc-20mhbp,ftknonulortdrs-uhfffaoysa-m,3,5-di trifluoromethyl phenylmagnesium bromide,grignard reagent PubChem CID: 11197896 IUPAC Name: magnesium;1,3-bis(trifluoromethyl)benzene-5-ide;bromide SMILES: FC(F)(F)C1=CC(=CC([Mg]Br)=C1)C(F)(F)F

PubChem CID 11197896
CAS 112981-69-8
Molecular Weight (g/mol) 317.31
MDL Number MFCD07369723
SMILES FC(F)(F)C1=CC(=CC([Mg]Br)=C1)C(F)(F)F
Synonym magnesium, 3,5-bis trifluoromethyl phenyl bromo,3,5-bis trifluoromethyl phenylmagnesiumbromide,3,5-bis trifluoromethyl phenylmagnesium bromide,3,5-bis trifluoromethyl phenylmagnesium bromide solution,acmc-20mhbp,ftknonulortdrs-uhfffaoysa-m,3,5-di trifluoromethyl phenylmagnesium bromide,grignard reagent
IUPAC Name magnesium;1,3-bis(trifluoromethyl)benzene-5-ide;bromide
InChI Key FTKNONULORTDRS-UHFFFAOYSA-M
Molecular Formula C8H3BrF6Mg
11
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4-Methylbenzotrifluoride, 98%

CAS: 6140-17-6 Molecular Formula: C8H7F3 Molecular Weight (g/mol): 160.14 MDL Number: MFCD00075476 InChI Key: LRLRAYMYEXQKID-UHFFFAOYSA-N Synonym: 4-methylbenzotrifluoride,1-methyl-4-trifluoromethyl benzene,4-trifluoromethyl toluene,p-methylbenzotrifluoride,alpha,alpha,alpha-trifluoro-p-xylene,benzene, 1-methyl-4-trifluoromethyl,4-methyl-1-trifluoromethyl benzene,1-methyl-4-trifluormethyl benzol,pubchem1659,p-trifluoromethyltoluene PubChem CID: 80230 IUPAC Name: 1-methyl-4-(trifluoromethyl)benzene SMILES: CC1=CC=C(C=C1)C(F)(F)F

PubChem CID 80230
CAS 6140-17-6
Molecular Weight (g/mol) 160.14
MDL Number MFCD00075476
SMILES CC1=CC=C(C=C1)C(F)(F)F
Synonym 4-methylbenzotrifluoride,1-methyl-4-trifluoromethyl benzene,4-trifluoromethyl toluene,p-methylbenzotrifluoride,alpha,alpha,alpha-trifluoro-p-xylene,benzene, 1-methyl-4-trifluoromethyl,4-methyl-1-trifluoromethyl benzene,1-methyl-4-trifluormethyl benzol,pubchem1659,p-trifluoromethyltoluene
IUPAC Name 1-methyl-4-(trifluoromethyl)benzene
InChI Key LRLRAYMYEXQKID-UHFFFAOYSA-N
Molecular Formula C8H7F3
12
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2-(Trifluoromethyl)benzonitrile, 97%

CAS: 447-60-9 Molecular Formula: C8H4F3N Molecular Weight (g/mol): 171.122 MDL Number: MFCD00001791 InChI Key: SOZGHDCEWOLLHV-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzonitrile,o-trifluoromethylbenzonitrile,2-cyanobenzotrifluoride,alpha,alpha,alpha-trifluoro-o-tolunitrile,a,a,a-trifluoro-o-tolunitrile,2-trifluoromethyl-benzonitrile,alpha,alpha,alpha-trifluoro-2-toluonitrile,benzonitrile, trifluoromethyl,benzonitrile, 2-trifluoromethyl,2-trifluoromethyl benzenecarbonitrile PubChem CID: 67972 IUPAC Name: 2-(trifluoromethyl)benzonitrile SMILES: C1=CC=C(C(=C1)C#N)C(F)(F)F

PubChem CID 67972
CAS 447-60-9
Molecular Weight (g/mol) 171.122
MDL Number MFCD00001791
SMILES C1=CC=C(C(=C1)C#N)C(F)(F)F
Synonym 2-trifluoromethyl benzonitrile,o-trifluoromethylbenzonitrile,2-cyanobenzotrifluoride,alpha,alpha,alpha-trifluoro-o-tolunitrile,a,a,a-trifluoro-o-tolunitrile,2-trifluoromethyl-benzonitrile,alpha,alpha,alpha-trifluoro-2-toluonitrile,benzonitrile, trifluoromethyl,benzonitrile, 2-trifluoromethyl,2-trifluoromethyl benzenecarbonitrile
IUPAC Name 2-(trifluoromethyl)benzonitrile
InChI Key SOZGHDCEWOLLHV-UHFFFAOYSA-N
Molecular Formula C8H4F3N
13
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2-Fluorobenzotrifluoride, 99%

CAS: 392-85-8 Molecular Formula: C7H4F4 Molecular Weight (g/mol): 164.103 MDL Number: MFCD00000374 InChI Key: BGVGHYOIWIALFF-UHFFFAOYSA-N Synonym: 2-fluorobenzotrifluoride,1-fluoro-2-trifluoromethyl benzene,o-fluorobenzotrifluoride,benzene, 1-fluoro-2-trifluoromethyl,alpha,alpha,alpha,2-tetrafluorotoluene,benzene, fluoro trifluoromethyl,o,alpha,alpha,alpha-tetrafluorotoluene,a,a,a,2-tetrafluorotoluene,alpha,alpha,alpha,ar-tetrafluorotoluene,2-trifluoromethyl fluorobenzene PubChem CID: 9807 IUPAC Name: 1-fluoro-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)F

PubChem CID 9807
CAS 392-85-8
Molecular Weight (g/mol) 164.103
MDL Number MFCD00000374
SMILES C1=CC=C(C(=C1)C(F)(F)F)F
Synonym 2-fluorobenzotrifluoride,1-fluoro-2-trifluoromethyl benzene,o-fluorobenzotrifluoride,benzene, 1-fluoro-2-trifluoromethyl,alpha,alpha,alpha,2-tetrafluorotoluene,benzene, fluoro trifluoromethyl,o,alpha,alpha,alpha-tetrafluorotoluene,a,a,a,2-tetrafluorotoluene,alpha,alpha,alpha,ar-tetrafluorotoluene,2-trifluoromethyl fluorobenzene
IUPAC Name 1-fluoro-2-(trifluoromethyl)benzene
InChI Key BGVGHYOIWIALFF-UHFFFAOYSA-N
Molecular Formula C7H4F4
14
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2-Aminobenzotrifluoride, 99%

CAS: 88-17-5 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.13 MDL Number: MFCD00007718 InChI Key: VBLXCTYLWZJBKA-UHFFFAOYSA-N Synonym: 2-trifluoromethyl aniline,2-aminobenzotrifluoride,o-aminobenzotrifluoride,o-trifluoromethyl aniline,o-trifluoromethylaniline,benzenamine, 2-trifluoromethyl,2-trifluoromethyl benzenamine,alpha,alpha,alpha-trifluoro-o-toluidine,2-aminotrifluorotoluene,2-aminotrifluoromethylbenzene PubChem CID: 6922 IUPAC Name: 2-(trifluoromethyl)aniline SMILES: C1=CC=C(C(=C1)C(F)(F)F)N

PubChem CID 6922
CAS 88-17-5
Molecular Weight (g/mol) 161.13
MDL Number MFCD00007718
SMILES C1=CC=C(C(=C1)C(F)(F)F)N
Synonym 2-trifluoromethyl aniline,2-aminobenzotrifluoride,o-aminobenzotrifluoride,o-trifluoromethyl aniline,o-trifluoromethylaniline,benzenamine, 2-trifluoromethyl,2-trifluoromethyl benzenamine,alpha,alpha,alpha-trifluoro-o-toluidine,2-aminotrifluorotoluene,2-aminotrifluoromethylbenzene
IUPAC Name 2-(trifluoromethyl)aniline
InChI Key VBLXCTYLWZJBKA-UHFFFAOYSA-N
Molecular Formula C7H6F3N
15

Sigma Aldrich Fine Chemicals Biosciences 3-(Trifluoromethyl)phenol 99% | 98-17-9 | MFCD00002299 | 100G

3-(Trifluoromethyl)phenol 99% | Purity: 99% | Mol Wt: 162.11 | 98-17-9 | MFCD00002299 | 100G

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