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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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4-(Trifluoromethyl)benzaldehyde, 98%

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,benzaldehyde, 4-trifluoromethyl,p-trifluoromethylbenzaldehyde,p-trifluoromethyl benzaldehyde,alpha,alpha,alpha-trifluoro-p-tolualdehyde,4'-trifluoromethyl benzaldehyde,p-trifluoromethyl-benzaldhyde,4-trifluoromethyl-benzaldehyde PubChem CID: 67996 IUPAC Name: 4-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=CC=C1C=O)C(F)(F)F

EDGE
PubChem CID 67996
CAS 455-19-6
Molecular Weight (g/mol) 174.12
MDL Number MFCD00006952
SMILES C1=CC(=CC=C1C=O)C(F)(F)F
Synonym 4-trifluoromethyl benzaldehyde,benzaldehyde, 4-trifluoromethyl,p-trifluoromethylbenzaldehyde,p-trifluoromethyl benzaldehyde,alpha,alpha,alpha-trifluoro-p-tolualdehyde,4'-trifluoromethyl benzaldehyde,p-trifluoromethyl-benzaldhyde,4-trifluoromethyl-benzaldehyde
IUPAC Name 4-(trifluoromethyl)benzaldehyde
InChI Key BEOBZEOPTQQELP-UHFFFAOYSA-N
Molecular Formula C8H5F3O
2

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
3

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
4

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
5

3-Bromo-5-(trifluoromethyl)benzene-1,2-diamine, 97%, Thermo Scientific™

CAS: 113170-72-2 Molecular Formula: C7H6BrF3N2 Molecular Weight (g/mol): 255.038 MDL Number: MFCD00042484 InChI Key: OVGAPUVMLZWQQF-UHFFFAOYSA-N Synonym: 3-bromo-5-trifluoromethyl benzene-1,2-diamine,3-bromo-4,5-diaminobenzotrifluoride,buttpark 82\03-57,1,2-diamino-3-bromo-5-trifluoromethyl benzene,3-bromo-5-trifluoromethyl-1,2-phenylenediamine,2-amino-3-bromo-5-trifluoromethyl phenylamine,3-bromo-5-trifluoromethyl-1,2-benzenediamine,4,5-diamino-3-bromobenzotrifluoride,pubchem2253 PubChem CID: 735785 IUPAC Name: 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine SMILES: C1=C(C=C(C(=C1N)N)Br)C(F)(F)F

PubChem CID 735785
CAS 113170-72-2
Molecular Weight (g/mol) 255.038
MDL Number MFCD00042484
SMILES C1=C(C=C(C(=C1N)N)Br)C(F)(F)F
Synonym 3-bromo-5-trifluoromethyl benzene-1,2-diamine,3-bromo-4,5-diaminobenzotrifluoride,buttpark 82\03-57,1,2-diamino-3-bromo-5-trifluoromethyl benzene,3-bromo-5-trifluoromethyl-1,2-phenylenediamine,2-amino-3-bromo-5-trifluoromethyl phenylamine,3-bromo-5-trifluoromethyl-1,2-benzenediamine,4,5-diamino-3-bromobenzotrifluoride,pubchem2253
IUPAC Name 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine
InChI Key OVGAPUVMLZWQQF-UHFFFAOYSA-N
Molecular Formula C7H6BrF3N2
6

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

CAS: 182344-16-7 Molecular Formula: C7H5BF4O2 Molecular Weight (g/mol): 207.92 MDL Number: MFCD08062379 InChI Key: SWUPLEAGZOKLNX-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethyl phenyl boronic acid,4-fluoro-2-trifluoromethyl benzeneboronic acid,4-fluoro-2-trifluoromethyl phenylboronic acid,2-borono-5-fluorobenzotrifluoride,boronic acid, 4-fluoro-2-trifluoromethyl phenyl,akos brn-1027,acmc-1byq0,4-fluoro-2-trifluoromethyl-phenylboronic acid,ksc495e5n PubChem CID: 12109469 IUPAC Name: [4-fluoro-2-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=C(C=C(F)C=C1)C(F)(F)F

PubChem CID 12109469
CAS 182344-16-7
Molecular Weight (g/mol) 207.92
MDL Number MFCD08062379
SMILES OB(O)C1=C(C=C(F)C=C1)C(F)(F)F
Synonym 4-fluoro-2-trifluoromethyl phenyl boronic acid,4-fluoro-2-trifluoromethyl benzeneboronic acid,4-fluoro-2-trifluoromethyl phenylboronic acid,2-borono-5-fluorobenzotrifluoride,boronic acid, 4-fluoro-2-trifluoromethyl phenyl,akos brn-1027,acmc-1byq0,4-fluoro-2-trifluoromethyl-phenylboronic acid,ksc495e5n
IUPAC Name [4-fluoro-2-(trifluoromethyl)phenyl]boronic acid
InChI Key SWUPLEAGZOKLNX-UHFFFAOYSA-N
Molecular Formula C7H5BF4O2
7

4-Chlorobenzotrifluoride, 98%

CAS: 98-56-6 Molecular Formula: C7H4ClF3 Molecular Weight (g/mol): 180.56 MDL Number: MFCD00000627 InChI Key: QULYNCCPRWKEMF-UHFFFAOYSA-N Synonym: 4-chlorobenzotrifluoride,p-chlorobenzotrifluoride,1-chloro-4-trifluoromethyl benzene,benzene, 1-chloro-4-trifluoromethyl,4-chloro-alpha,alpha,alpha-trifluorotoluene,para-chlorobenzotrifluoride,p-chlorophenyl trifluoromethane,p-chloro-a,a,a-trifluorotoluene,pcbtf,p-chlorotrifluoromethylbenzene PubChem CID: 7394 IUPAC Name: 1-chloro-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Cl

PubChem CID 7394
CAS 98-56-6
Molecular Weight (g/mol) 180.56
MDL Number MFCD00000627
SMILES C1=CC(=CC=C1C(F)(F)F)Cl
Synonym 4-chlorobenzotrifluoride,p-chlorobenzotrifluoride,1-chloro-4-trifluoromethyl benzene,benzene, 1-chloro-4-trifluoromethyl,4-chloro-alpha,alpha,alpha-trifluorotoluene,para-chlorobenzotrifluoride,p-chlorophenyl trifluoromethane,p-chloro-a,a,a-trifluorotoluene,pcbtf,p-chlorotrifluoromethylbenzene
IUPAC Name 1-chloro-4-(trifluoromethyl)benzene
InChI Key QULYNCCPRWKEMF-UHFFFAOYSA-N
Molecular Formula C7H4ClF3
9
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3,5-Bis(trifluoromethyl)phenyl isocyanate, 98%

CAS: 16588-74-2 Molecular Formula: C9H3F6NO Molecular Weight (g/mol): 255.12 MDL Number: MFCD00013559 InChI Key: NRSSOFNMWSJECS-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl phenyl isocyanate,1-isocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl isocyanate,3,5-di trifluoromethyl phenyl isocyanate,3,5-di trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl benzenisocyanate,pubchem2735,acmc-209dtj,3,5-bistrifluorometylphenylisocyanate 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

PubChem CID 2733314
CAS 16588-74-2
Molecular Weight (g/mol) 255.12
MDL Number MFCD00013559
SMILES C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F
Synonym 3,5-bis trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl phenyl isocyanate,1-isocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl isocyanate,3,5-di trifluoromethyl phenyl isocyanate,3,5-di trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl benzenisocyanate,pubchem2735,acmc-209dtj,3,5-bistrifluorometylphenylisocyanate
IUPAC Name 1-isocyanato-3,5-bis(trifluoromethyl)benzene
InChI Key NRSSOFNMWSJECS-UHFFFAOYSA-N
Molecular Formula C9H3F6NO
12

2-(Trifluoromethyl)benzoic acid, 98%, Thermo Scientific Chemicals

CAS: 433-97-6 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.12 MDL Number: MFCD00002476 InChI Key: FBRJYBGLCHWYOE-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzoic acid,o-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-o-toluic acid,o-carboxybenzotrifluoride,2-carboxybenzotrifluoride,unii-0r1ck7mzua,trifluoromethylbenzoic acid,2-trifluoromethyl benzoate,2-trifluromethylbenzoic acid,trifluoromethyl benzoic acid PubChem CID: 9899 ChEBI: CHEBI:60694 IUPAC Name: 2-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC=CC=C1C(F)(F)F

PubChem CID 9899
CAS 433-97-6
Molecular Weight (g/mol) 190.12
ChEBI CHEBI:60694
MDL Number MFCD00002476
SMILES OC(=O)C1=CC=CC=C1C(F)(F)F
Synonym 2-trifluoromethyl benzoic acid,o-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-o-toluic acid,o-carboxybenzotrifluoride,2-carboxybenzotrifluoride,unii-0r1ck7mzua,trifluoromethylbenzoic acid,2-trifluoromethyl benzoate,2-trifluromethylbenzoic acid,trifluoromethyl benzoic acid
IUPAC Name 2-(trifluoromethyl)benzoic acid
InChI Key FBRJYBGLCHWYOE-UHFFFAOYSA-N
Molecular Formula C8H5F3O2
13

5-[2-Chloro-4-(trifluoromethyl)phenyl]-2-furaldehyde, 95%, Thermo Scientific™

CAS: 306936-04-9 Molecular Formula: C12H6ClF3O2 Molecular Weight (g/mol): 274.623 MDL Number: MFCD01571128 InChI Key: SAEPEPVLSICNRE-UHFFFAOYSA-N Synonym: 5-2-chloro-4-trifluoromethyl phenyl-2-furaldehyde,5-2-chloro-4-trifluoromethyl phenyl furan-2-carbaldehyde,2-furancarboxaldehyde,5-2-chloro-4-trifluoromethyl phenyl PubChem CID: 2781786 IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-carbaldehyde SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)C2=CC=C(O2)C=O

PubChem CID 2781786
CAS 306936-04-9
Molecular Weight (g/mol) 274.623
MDL Number MFCD01571128
SMILES C1=CC(=C(C=C1C(F)(F)F)Cl)C2=CC=C(O2)C=O
Synonym 5-2-chloro-4-trifluoromethyl phenyl-2-furaldehyde,5-2-chloro-4-trifluoromethyl phenyl furan-2-carbaldehyde,2-furancarboxaldehyde,5-2-chloro-4-trifluoromethyl phenyl
IUPAC Name 5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-carbaldehyde
InChI Key SAEPEPVLSICNRE-UHFFFAOYSA-N
Molecular Formula C12H6ClF3O2
14

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
15

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