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.

1 – 15 of 533 results

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.

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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.

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2,5-Dichlorobenzotrifluoride, 98%

CAS: 320-50-3 Molecular Formula: C7H3Cl2F3 Molecular Weight (g/mol): 214.996 MDL Number: MFCD00000608 InChI Key: DYBYUWVMLBBEMA-UHFFFAOYSA-N Synonym: 2,5-dichlorobenzotrifluoride,1,4-dichloro-2-trifluoromethyl benzene,benzene, 1,4-dichloro-2-trifluoromethyl,2,5-dichloro-alpha,alpha,alpha-trifluorotoluene,2,5-dichloro-a,a,a-trifluorotoluene,toluene, 2,5-dichloro-alpha,alpha,alpha-trifluoro-6ci,7ci,8ci,pubchem3450,ksc925c7r,2,5-dichloro trifluoromethylbenzene PubChem CID: 35360 IUPAC Name: 1,4-dichloro-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1Cl)C(F)(F)F)Cl

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Specifications

PubChem CID	35360
CAS	320-50-3
Molecular Weight (g/mol)	214.996
MDL Number	MFCD00000608
SMILES	C1=CC(=C(C=C1Cl)C(F)(F)F)Cl
Synonym	2,5-dichlorobenzotrifluoride,1,4-dichloro-2-trifluoromethyl benzene,benzene, 1,4-dichloro-2-trifluoromethyl,2,5-dichloro-alpha,alpha,alpha-trifluorotoluene,2,5-dichloro-a,a,a-trifluorotoluene,toluene, 2,5-dichloro-alpha,alpha,alpha-trifluoro-6ci,7ci,8ci,pubchem3450,ksc925c7r,2,5-dichloro trifluoromethylbenzene
IUPAC Name	1,4-dichloro-2-(trifluoromethyl)benzene
InChI Key	DYBYUWVMLBBEMA-UHFFFAOYSA-N
Molecular Formula	C7H3Cl2F3

1-Iodo-3,5-bis(trifluoromethyl)benzene, 97+%

CAS: 328-73-4 Molecular Formula: C8H3F6I Molecular Weight (g/mol): 340.007 MDL Number: MFCD00040837 InChI Key: VDPIZIZDKPFXLI-UHFFFAOYSA-N Synonym: 1-iodo-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl iodobenzene,1,3-bis trifluoromethyl-5-iodobenzene,3,5-bis trifluoromethyl-1-iodo benzene,benzene, 1-iodo-3,5-bis trifluoromethyl,1-iodo-3,5-di trifluoromethyl benzene,3-5-di trifluoromethyl iodobenzene,pubchem1056,acmc-209hwp PubChem CID: 630970 IUPAC Name: 1-iodo-3,5-bis(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1C(F)(F)F)I)C(F)(F)F

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Specifications

PubChem CID	630970
CAS	328-73-4
Molecular Weight (g/mol)	340.007
MDL Number	MFCD00040837
SMILES	C1=C(C=C(C=C1C(F)(F)F)I)C(F)(F)F
Synonym	1-iodo-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl iodobenzene,1,3-bis trifluoromethyl-5-iodobenzene,3,5-bis trifluoromethyl-1-iodo benzene,benzene, 1-iodo-3,5-bis trifluoromethyl,1-iodo-3,5-di trifluoromethyl benzene,3-5-di trifluoromethyl iodobenzene,pubchem1056,acmc-209hwp
IUPAC Name	1-iodo-3,5-bis(trifluoromethyl)benzene
InChI Key	VDPIZIZDKPFXLI-UHFFFAOYSA-N
Molecular Formula	C8H3F6I

4-(Trifluoromethyl)thiophenol, 97%

CAS: 825-83-2 Molecular Formula: C7H5F3S Molecular Weight (g/mol): 178.172 MDL Number: MFCD00042320 InChI Key: WCMLRSZJUIKVCW-UHFFFAOYSA-N Synonym: 4-trifluoromethyl thiophenol,4-trifluoromethyl benzenethiol,4-trifluoromethyl benzene-1-thiol,4-trifluoromethylthiophenol,4-mercaptobenzotrifluoride,benzenethiol, 4-trifluoromethyl,4-trifluoromethyl t,acmc-20amtl,pubchem6864 PubChem CID: 136653 IUPAC Name: 4-(trifluoromethyl)benzenethiol SMILES: C1=CC(=CC=C1C(F)(F)F)S

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Specifications

PubChem CID	136653
CAS	825-83-2
Molecular Weight (g/mol)	178.172
MDL Number	MFCD00042320
SMILES	C1=CC(=CC=C1C(F)(F)F)S
Synonym	4-trifluoromethyl thiophenol,4-trifluoromethyl benzenethiol,4-trifluoromethyl benzene-1-thiol,4-trifluoromethylthiophenol,4-mercaptobenzotrifluoride,benzenethiol, 4-trifluoromethyl,4-trifluoromethyl t,acmc-20amtl,pubchem6864
IUPAC Name	4-(trifluoromethyl)benzenethiol
InChI Key	WCMLRSZJUIKVCW-UHFFFAOYSA-N
Molecular Formula	C7H5F3S

4-(Trifluoromethyl)benzenesulfonyl chloride, 98%

CAS: 2991-42-6 Molecular Formula: C7H4ClF3O2S Molecular Weight (g/mol): 244.61 MDL Number: MFCD00042422 InChI Key: OZDCZHDOIBUGAJ-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzene-1-sulfonyl chloride,4-trifluoromethyl benzene sulfonyl chloride,p-trifluoromethylbenzenesulfonyl chloride,4-trifluoromethyl benzenesulfonylchloride,4-trifluoromethyl-benzenesulfonyl chloride,4-trifluoromethyl phenylsulfonyl chloride,p-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzenesulphonyl chloride,benzenesulfonyl chloride, 4-trifluoromethyl PubChem CID: 2777399 IUPAC Name: 4-(trifluoromethyl)benzenesulfonyl chloride SMILES: FC(F)(F)C1=CC=C(C=C1)S(Cl)(=O)=O

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Specifications

PubChem CID	2777399
CAS	2991-42-6
Molecular Weight (g/mol)	244.61
MDL Number	MFCD00042422
SMILES	FC(F)(F)C1=CC=C(C=C1)S(Cl)(=O)=O
Synonym	4-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzene-1-sulfonyl chloride,4-trifluoromethyl benzene sulfonyl chloride,p-trifluoromethylbenzenesulfonyl chloride,4-trifluoromethyl benzenesulfonylchloride,4-trifluoromethyl-benzenesulfonyl chloride,4-trifluoromethyl phenylsulfonyl chloride,p-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzenesulphonyl chloride,benzenesulfonyl chloride, 4-trifluoromethyl
IUPAC Name	4-(trifluoromethyl)benzenesulfonyl chloride
InChI Key	OZDCZHDOIBUGAJ-UHFFFAOYSA-N
Molecular Formula	C7H4ClF3O2S

4-Trifluoromethyl-o-phenylenediamine, 98%

CAS: 368-71-8 Molecular Formula: C7H7F3N2 Molecular Weight (g/mol): 176.142 MDL Number: MFCD00042456 InChI Key: RQWJHUJJBYMJMN-UHFFFAOYSA-N Synonym: 3,4-diaminobenzotrifluoride,4-trifluoromethyl benzene-1,2-diamine,4-trifluoromethyl-1,2-phenylenediamine,4-trifluoromethyl-o-phenylenediamine,1,2-benzenediamine, 4-trifluoromethyl,4-trifluoromethyl-1,2-benzenediamine,3,4-diamino-benzotrifluoride,3,4-diamino benzotrifluoride PubChem CID: 520822 IUPAC Name: 4-(trifluoromethyl)benzene-1,2-diamine SMILES: C1=CC(=C(C=C1C(F)(F)F)N)N

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Specifications

PubChem CID	520822
CAS	368-71-8
Molecular Weight (g/mol)	176.142
MDL Number	MFCD00042456
SMILES	C1=CC(=C(C=C1C(F)(F)F)N)N
Synonym	3,4-diaminobenzotrifluoride,4-trifluoromethyl benzene-1,2-diamine,4-trifluoromethyl-1,2-phenylenediamine,4-trifluoromethyl-o-phenylenediamine,1,2-benzenediamine, 4-trifluoromethyl,4-trifluoromethyl-1,2-benzenediamine,3,4-diamino-benzotrifluoride,3,4-diamino benzotrifluoride
IUPAC Name	4-(trifluoromethyl)benzene-1,2-diamine
InChI Key	RQWJHUJJBYMJMN-UHFFFAOYSA-N
Molecular Formula	C7H7F3N2

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

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Specifications

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-Iodobenzotrifluoride, 98+%

CAS: 401-81-0 Molecular Formula: C7H4F3I Molecular Weight (g/mol): 272.009 MDL Number: MFCD00001049 InChI Key: IGISPMBUGPHLBY-UHFFFAOYSA-N Synonym: 1-iodo-3-trifluoromethyl benzene,3-iodobenzotrifluoride,m-iodobenzotrifluoride,benzene, 1-iodo-3-trifluoromethyl,3-iodobenztrifluoride,m-trifluoromethyl iodobenzene,3-iodo-alpha,alpha,alpha-trifluorotoluene,3-trifluoromethyliodobenzene,3-trifluoromethyl-iodobenzene,alpha,alpha,alpha-trifluoro-m-iodotoluene PubChem CID: 67868 IUPAC Name: 1-iodo-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)I)C(F)(F)F

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Specifications

PubChem CID	67868
CAS	401-81-0
Molecular Weight (g/mol)	272.009
MDL Number	MFCD00001049
SMILES	C1=CC(=CC(=C1)I)C(F)(F)F
Synonym	1-iodo-3-trifluoromethyl benzene,3-iodobenzotrifluoride,m-iodobenzotrifluoride,benzene, 1-iodo-3-trifluoromethyl,3-iodobenztrifluoride,m-trifluoromethyl iodobenzene,3-iodo-alpha,alpha,alpha-trifluorotoluene,3-trifluoromethyliodobenzene,3-trifluoromethyl-iodobenzene,alpha,alpha,alpha-trifluoro-m-iodotoluene
IUPAC Name	1-iodo-3-(trifluoromethyl)benzene
InChI Key	IGISPMBUGPHLBY-UHFFFAOYSA-N
Molecular Formula	C7H4F3I

(±)-Bay K 8644, Thermo Scientific Chemicals

CAS: 71145-03-4 Molecular Formula: C16H15F3N2O4 Molecular Weight (g/mol): 356.301 MDL Number: MFCD00036697 InChI Key: ZFLWDHHVRRZMEI-UHFFFAOYSA-N Synonym: methyl 2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-1,4-dihydropyridine-3-carboxylate,3-pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-, methyl ester,1,4-dihydro-2,6-dimethyl-5-nitro-4-2′-trifluoromethyl phenyl-3-pyridinecarboxylic acid methyl ester,bay-k-8644, +--isomer,opera_id_789,d01rad,y-bay k 8644,r-+-1,4-dihydro-2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-3-pyridinecarboxylic acid methyl ester PubChem CID: 2303 ChEBI: CHEBI:34555 IUPAC Name: methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate SMILES: CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC

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Specifications

PubChem CID	2303
CAS	71145-03-4
Molecular Weight (g/mol)	356.301
ChEBI	CHEBI:34555
MDL Number	MFCD00036697
SMILES	CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC
Synonym	methyl 2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-1,4-dihydropyridine-3-carboxylate,3-pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-, methyl ester,1,4-dihydro-2,6-dimethyl-5-nitro-4-2′-trifluoromethyl phenyl-3-pyridinecarboxylic acid methyl ester,bay-k-8644, +--isomer,opera_id_789,d01rad,y-bay k 8644,r-+-1,4-dihydro-2,6-dimethyl-5-nitro-4-2-trifluoromethyl phenyl-3-pyridinecarboxylic acid methyl ester
IUPAC Name	methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
InChI Key	ZFLWDHHVRRZMEI-UHFFFAOYSA-N
Molecular Formula	C16H15F3N2O4

2-Chloro-3-nitrobenzotrifluoride, 98%

CAS: 39974-35-1 Molecular Formula: C7H3ClF3NO2 Molecular Weight (g/mol): 225.55 MDL Number: MFCD14525509 InChI Key: TWABRHQBRWLSSE-UHFFFAOYSA-N PubChem CID: 3016126 IUPAC Name: 2-chloro-1-nitro-3-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC=CC(=C1Cl)C(F)(F)F

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Specifications

PubChem CID	3016126
CAS	39974-35-1
Molecular Weight (g/mol)	225.55
MDL Number	MFCD14525509
SMILES	[O-][N+](=O)C1=CC=CC(=C1Cl)C(F)(F)F
IUPAC Name	2-chloro-1-nitro-3-(trifluoromethyl)benzene
InChI Key	TWABRHQBRWLSSE-UHFFFAOYSA-N
Molecular Formula	C7H3ClF3NO2

2-[3-(Trifluoromethyl)phenyl]ethylamine, 98%

CAS: 52516-30-0 Molecular Formula: C9H10F3N Molecular Weight (g/mol): 189.181 MDL Number: MFCD00040756 InChI Key: BPVYCXMGJPKOTQ-UHFFFAOYSA-N Synonym: 2-3-trifluoromethyl phenyl ethanamine,3-trifluoromethyl phenethylamine,2-3-trifluoromethylphenyl ethylamine,2-3-trifluoromethyl phenyl ethylamine,phenethylamine, m-trifluoromethyl,m-trifluoromethylphenethylamine,m-trifluoromethyl phenethylamine,benzeneethanamine, 3-trifluoromethyl,2-3-trifluoromethylphenyl-ethylamine PubChem CID: 104223 IUPAC Name: 2-[3-(trifluoromethyl)phenyl]ethanamine SMILES: C1=CC(=CC(=C1)C(F)(F)F)CCN

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Specifications

PubChem CID	104223
CAS	52516-30-0
Molecular Weight (g/mol)	189.181
MDL Number	MFCD00040756
SMILES	C1=CC(=CC(=C1)C(F)(F)F)CCN
Synonym	2-3-trifluoromethyl phenyl ethanamine,3-trifluoromethyl phenethylamine,2-3-trifluoromethylphenyl ethylamine,2-3-trifluoromethyl phenyl ethylamine,phenethylamine, m-trifluoromethyl,m-trifluoromethylphenethylamine,m-trifluoromethyl phenethylamine,benzeneethanamine, 3-trifluoromethyl,2-3-trifluoromethylphenyl-ethylamine
IUPAC Name	2-[3-(trifluoromethyl)phenyl]ethanamine
InChI Key	BPVYCXMGJPKOTQ-UHFFFAOYSA-N
Molecular Formula	C9H10F3N

4-Bromo-2,6-difluorobenzotrifluoride, 98%

CAS: 156243-64-0 Molecular Formula: C7H2BrF5 Molecular Weight (g/mol): 260.989 MDL Number: MFCD01631616 InChI Key: QPJKIRNIIXIPIE-UHFFFAOYSA-N PubChem CID: 23450919 IUPAC Name: 5-bromo-1,3-difluoro-2-(trifluoromethyl)benzene SMILES: C1=C(C=C(C(=C1F)C(F)(F)F)F)Br

Pricing and Availability
Specifications

PubChem CID	23450919
CAS	156243-64-0
Molecular Weight (g/mol)	260.989
MDL Number	MFCD01631616
SMILES	C1=C(C=C(C(=C1F)C(F)(F)F)F)Br
IUPAC Name	5-bromo-1,3-difluoro-2-(trifluoromethyl)benzene
InChI Key	QPJKIRNIIXIPIE-UHFFFAOYSA-N
Molecular Formula	C7H2BrF5

2-Bromo-5-(trifluoromethyl)phenol, 98%

CAS: 402-05-1 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.007 MDL Number: MFCD09261190 InChI Key: INHVNZLKNPJCJD-UHFFFAOYSA-N Synonym: 2-bromo-5-trifluoromethyl phenol,phenol, 2-bromo-5-trifluoromethyl,acmc-209jbu,phenol,2-bromo-5-trifluoromethyl,3-bromo-5-hydroxybenzotrifluoride,4-bromo-3-hydroxybenzotrifluoride PubChem CID: 21914470 IUPAC Name: 2-bromo-5-(trifluoromethyl)phenol SMILES: C1=CC(=C(C=C1C(F)(F)F)O)Br

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Specifications

PubChem CID	21914470
CAS	402-05-1
Molecular Weight (g/mol)	241.007
MDL Number	MFCD09261190
SMILES	C1=CC(=C(C=C1C(F)(F)F)O)Br
Synonym	2-bromo-5-trifluoromethyl phenol,phenol, 2-bromo-5-trifluoromethyl,acmc-209jbu,phenol,2-bromo-5-trifluoromethyl,3-bromo-5-hydroxybenzotrifluoride,4-bromo-3-hydroxybenzotrifluoride
IUPAC Name	2-bromo-5-(trifluoromethyl)phenol
InChI Key	INHVNZLKNPJCJD-UHFFFAOYSA-N
Molecular Formula	C7H4BrF3O

2,5-Difluorobenzotrifluoride, 98%

CAS: 393-38-4 Molecular Formula: C7H3F5 Molecular Weight (g/mol): 182.09 MDL Number: MFCD00042494 InChI Key: BLDOSVXRDMTZQE-UHFFFAOYSA-N Synonym: 2,5-difluorobenzotrifluoride,1,4-difluoro-2-trifluoromethyl benzene,1,4-difluoro-2-trifluoromethyl-benzene,benzene, 1,4-difluoro-2-trifluoromethyl,pubchem1650,1-trifluoromethyl-2,5-difluorobenzene PubChem CID: 11111097 IUPAC Name: 1,4-difluoro-2-(trifluoromethyl)benzene SMILES: FC1=CC(=C(F)C=C1)C(F)(F)F

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Specifications

PubChem CID	11111097
CAS	393-38-4
Molecular Weight (g/mol)	182.09
MDL Number	MFCD00042494
SMILES	FC1=CC(=C(F)C=C1)C(F)(F)F
Synonym	2,5-difluorobenzotrifluoride,1,4-difluoro-2-trifluoromethyl benzene,1,4-difluoro-2-trifluoromethyl-benzene,benzene, 1,4-difluoro-2-trifluoromethyl,pubchem1650,1-trifluoromethyl-2,5-difluorobenzene
IUPAC Name	1,4-difluoro-2-(trifluoromethyl)benzene
InChI Key	BLDOSVXRDMTZQE-UHFFFAOYSA-N
Molecular Formula	C7H3F5

Trifluoromethylbenzenes

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