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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

4-Bromobenzotrifluoride 98.0+%, TCI America™

CAS: 402-43-7 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.008 MDL Number: MFCD00000398 InChI Key: XLQSXGGDTHANLN-UHFFFAOYSA-N Synonym: 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene PubChem CID: 67872 IUPAC Name: 1-bromo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Br

PubChem CID 67872
CAS 402-43-7
Molecular Weight (g/mol) 225.008
MDL Number MFCD00000398
SMILES C1=CC(=CC=C1C(F)(F)F)Br
Synonym 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene
IUPAC Name 1-bromo-4-(trifluoromethyl)benzene
InChI Key XLQSXGGDTHANLN-UHFFFAOYSA-N
Molecular Formula C7H4BrF3
2

2-Chloro-5-hydroxybenzotrifluoride 98.0+%, TCI America™

CAS: 6294-93-5 Molecular Formula: C7H4ClF3O Molecular Weight (g/mol): 196.55 MDL Number: MFCD00042525 InChI Key: ZLFPIEUWXNRPNM-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl phenol,2-chloro-5-hydroxybenzotrifluoride,phenol, 4-chloro-3-trifluoromethyl,4-chloro-3-trifluoromethyl-phenol,phenol, p-chloro-m-trifluoromethyl,p-chloro-m-trifluoromethylphenol,2-chloro-5-hydroxybezotrifluoride,pubchem2863 PubChem CID: 80520 IUPAC Name: 4-chloro-3-(trifluoromethyl)phenol SMILES: OC1=CC=C(Cl)C(=C1)C(F)(F)F

PubChem CID 80520
CAS 6294-93-5
Molecular Weight (g/mol) 196.55
MDL Number MFCD00042525
SMILES OC1=CC=C(Cl)C(=C1)C(F)(F)F
Synonym 4-chloro-3-trifluoromethyl phenol,2-chloro-5-hydroxybenzotrifluoride,phenol, 4-chloro-3-trifluoromethyl,4-chloro-3-trifluoromethyl-phenol,phenol, p-chloro-m-trifluoromethyl,p-chloro-m-trifluoromethylphenol,2-chloro-5-hydroxybezotrifluoride,pubchem2863
IUPAC Name 4-chloro-3-(trifluoromethyl)phenol
InChI Key ZLFPIEUWXNRPNM-UHFFFAOYSA-N
Molecular Formula C7H4ClF3O
3
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4-Bromobenzotrifluoride, 99%

CAS: 402-43-7 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.008 MDL Number: MFCD00000398 InChI Key: XLQSXGGDTHANLN-UHFFFAOYSA-N Synonym: 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene PubChem CID: 67872 IUPAC Name: 1-bromo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Br

PubChem CID 67872
CAS 402-43-7
Molecular Weight (g/mol) 225.008
MDL Number MFCD00000398
SMILES C1=CC(=CC=C1C(F)(F)F)Br
Synonym 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene
IUPAC Name 1-bromo-4-(trifluoromethyl)benzene
InChI Key XLQSXGGDTHANLN-UHFFFAOYSA-N
Molecular Formula C7H4BrF3
4
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4-Fluoro-2-(trifluoromethyl)benzonitrile, 98+%

CAS: 194853-86-6 Molecular Formula: C8H3F4N Molecular Weight (g/mol): 189.11 MDL Number: MFCD00061283 InChI Key: LCCPQUYXMFXCAC-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-fluorobenzonitrile,4-fluoro-2-trifluoromethyl-benzonitrile,2-cyano-5-fluorobenzotrifluoride,alpha,alpha,alpha,4-tetrafluoro-o-tolunitrile,benzonitrile, 4-fluoro-2-trifluoromethyl,4-fluoro-2-trifluoromethyl benzenecarbonitrile,pubchem4802 PubChem CID: 605085 IUPAC Name: 4-fluoro-2-(trifluoromethyl)benzonitrile SMILES: FC1=CC=C(C#N)C(=C1)C(F)(F)F

PubChem CID 605085
CAS 194853-86-6
Molecular Weight (g/mol) 189.11
MDL Number MFCD00061283
SMILES FC1=CC=C(C#N)C(=C1)C(F)(F)F
Synonym 4-fluoro-2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-fluorobenzonitrile,4-fluoro-2-trifluoromethyl-benzonitrile,2-cyano-5-fluorobenzotrifluoride,alpha,alpha,alpha,4-tetrafluoro-o-tolunitrile,benzonitrile, 4-fluoro-2-trifluoromethyl,4-fluoro-2-trifluoromethyl benzenecarbonitrile,pubchem4802
IUPAC Name 4-fluoro-2-(trifluoromethyl)benzonitrile
InChI Key LCCPQUYXMFXCAC-UHFFFAOYSA-N
Molecular Formula C8H3F4N
5
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4-Bromobenzotrifluoride, 99%

CAS: 402-43-7 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.01 MDL Number: MFCD00000398 InChI Key: XLQSXGGDTHANLN-UHFFFAOYSA-N Synonym: 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene PubChem CID: 67872 IUPAC Name: 1-bromo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Br

PubChem CID 67872
CAS 402-43-7
Molecular Weight (g/mol) 225.01
MDL Number MFCD00000398
SMILES C1=CC(=CC=C1C(F)(F)F)Br
Synonym 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene
IUPAC Name 1-bromo-4-(trifluoromethyl)benzene
InChI Key XLQSXGGDTHANLN-UHFFFAOYSA-N
Molecular Formula C7H4BrF3
6

eMolecules​ 6280-43-9 | 4-(4-Chlorobenzyl)benzene-1,3-diol | MFCD28969120 | 250mg

Ambeed | 4-(4-Chlorobenzyl)benzene-1,3-diol | 250mg | 525087313 | A170679 | 6280-43-9 | MFCD28969120 | 234.680 | C13H11ClO2

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7

Matrix Scientific 4-BROMOBENZOTRIFLUORIDE MF C7H4BrF3 MW 225.01 CAS 402-43-7 MDL MFCD00000398 QTY 100 UOM G

4-BROMOBENZOTRIFLUORIDE MF C7H4BrF3 MW 225.01 CAS 402-43-7 MDL MFCD00000398 QTY 100 UOM G

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8

eMolecules​ 401566-43-6 | 1-[2-(Trifluoromethyl)quinol-4-yl]homopiperazine | Apollo Scientific | MFCD03094309 | 295.309 | C15H16F3N3 | 97.000 | FC(F)(F)c1cc(N2CCCNCC2)c2ccccc2n1 | 500mg | 562447357

1-[2-(Trifluoromethyl)quinol-4-yl]homopiperazine | Apollo Scientific | 401566-43-6 | MFCD03094309 | 295.309 | C15H16F3N3 | 97.000 | FC(F)(F)c1cc(N2CCCNCC2)c2ccccc2n1 | 500mg | 562447357

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9

Sigma Aldrich 4-Bromobenzotrifluoride

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

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Boiling Point 154°C to 155°C (lit.)
Percent Purity 99%
Linear Formula BrC6H4CF3
CAS 402-43-7
Molecular Weight (g/mol) 225.01
MDL Number MFCD00000398
Refractive Index n20/D 1.472 (literature)
Synonym 1-Bromo-4-(trifluoromethyl)benzene; 4-Bromo-alpha,alpha,alpha-trifluorotoluene
Recommended Storage Room Temperature
Molecular Formula C7H4BrF3
EINECS Number 206-943-6
Density 1.607 g/mL (at 25°C (literature))
10

eMolecules​ 1824299-76-4 | Ambeed | 2-Methyl-5-nitro-3-(trifluoromethyl)pyridine | 250mg | 600837182 | A311034 | MFCD20923732 | 206.124 | C7H5F3N2O2

Ambeed | 3-Chloro-5-(4455-tetramethyl-132-dioxaborolan-2-yl)benzamide | 100mg | 696731608 | A1529462 | 2828439-43-4 | 281.540 | C13H17BClNO3

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11

2-Fluoro-5-methyl-4-(trifluoromethyl)benzamide, 97%, Thermo Scientific™

CAS: 1323966-43-3 Molecular Formula: C9H7F4NO Molecular Weight (g/mol): 221.155 MDL Number: MFCD19687194 InChI Key: YHTYNOXDHGBXMS-UHFFFAOYSA-N Synonym: 2-fluoro-5-methyl-4-trifluoromethyl benzamide PubChem CID: 66523632 IUPAC Name: 2-fluoro-5-methyl-4-(trifluoromethyl)benzamide SMILES: CC1=C(C=C(C(=C1)C(=O)N)F)C(F)(F)F

PubChem CID 66523632
CAS 1323966-43-3
Molecular Weight (g/mol) 221.155
MDL Number MFCD19687194
SMILES CC1=C(C=C(C(=C1)C(=O)N)F)C(F)(F)F
Synonym 2-fluoro-5-methyl-4-trifluoromethyl benzamide
IUPAC Name 2-fluoro-5-methyl-4-(trifluoromethyl)benzamide
InChI Key YHTYNOXDHGBXMS-UHFFFAOYSA-N
Molecular Formula C9H7F4NO
12

3-Bromobenzotrifluoride, 99%

CAS: 401-78-5 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.01 MDL Number: MFCD00000380 InChI Key: NNMBNYHMJRJUBC-UHFFFAOYSA-N Synonym: 3-bromobenzotrifluoride,1-bromo-3-trifluoromethyl benzene,m-bromobenzotrifluoride,3-trifluoromethyl bromobenzene,benzene, 1-bromo-3-trifluoromethyl,3-brombenzotrifluorid,3-bromotrifluoromethylbenzene,3-bromobenzyltrifluoride,3-trifluoromethyl phenyl bromide,m-trifluoromethyl bromobenzene PubChem CID: 9817 IUPAC Name: 1-bromo-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)Br)C(F)(F)F

PubChem CID 9817
CAS 401-78-5
Molecular Weight (g/mol) 225.01
MDL Number MFCD00000380
SMILES C1=CC(=CC(=C1)Br)C(F)(F)F
Synonym 3-bromobenzotrifluoride,1-bromo-3-trifluoromethyl benzene,m-bromobenzotrifluoride,3-trifluoromethyl bromobenzene,benzene, 1-bromo-3-trifluoromethyl,3-brombenzotrifluorid,3-bromotrifluoromethylbenzene,3-bromobenzyltrifluoride,3-trifluoromethyl phenyl bromide,m-trifluoromethyl bromobenzene
IUPAC Name 1-bromo-3-(trifluoromethyl)benzene
InChI Key NNMBNYHMJRJUBC-UHFFFAOYSA-N
Molecular Formula C7H4BrF3