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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3-(Trifluoromethyl)benzyl bromide, 98%

CAS: 402-23-3 Molecular Formula: C8H6BrF3 Molecular Weight (g/mol): 239.04 MDL Number: MFCD00000395 InChI Key: MYYYZNVAUZVXBO-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzyl bromide,1-bromomethyl-3-trifluoromethyl benzene,m-trifluoromethylbenzyl bromide,3-trifluoromethylbenzyl bromide,3-bromomethyl benzotrifluoride,3-trifluoromethylbenzylbromide,3-trifluoromethyl benzylbromide,1-bromomethyl-3-trifluoromethyl-benzene,alpha'-bromo-alpha,alpha,alpha-trifluoro-m-xylene PubChem CID: 123061 IUPAC Name: 1-(bromomethyl)-3-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC=CC(CBr)=C1

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Specifications

PubChem CID	123061
CAS	402-23-3
Molecular Weight (g/mol)	239.04
MDL Number	MFCD00000395
SMILES	FC(F)(F)C1=CC=CC(CBr)=C1
Synonym	3-trifluoromethyl benzyl bromide,1-bromomethyl-3-trifluoromethyl benzene,m-trifluoromethylbenzyl bromide,3-trifluoromethylbenzyl bromide,3-bromomethyl benzotrifluoride,3-trifluoromethylbenzylbromide,3-trifluoromethyl benzylbromide,1-bromomethyl-3-trifluoromethyl-benzene,alpha'-bromo-alpha,alpha,alpha-trifluoro-m-xylene
IUPAC Name	1-(bromomethyl)-3-(trifluoromethyl)benzene
InChI Key	MYYYZNVAUZVXBO-UHFFFAOYSA-N
Molecular Formula	C8H6BrF3

3-(Trifluoromethyl)benzaldehyde, 97%

CAS: 454-89-7 Molecular Formula: C₈H₅F₃O Molecular Weight (g/mol): 174.12 MDL Number: MFCD00003373 InChI Key: NMTUHPSKJJYGML-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzaldehyde,m-trifluoromethylbenzaldehyde,benzaldehyde, 3-trifluoromethyl,alpha,alpha,alpha-trifluoro-m-tolualdehyde,alpha,alpha,alpha-trifluoro-3-tolualdehyde,unii-at7h4h5u3e,a,a,a-trifluoro-m-tolualdehyde,3-trifluoromethyl-benzaldehyde,mtf-bad,3-formylbenzotrifluoride PubChem CID: 67990 IUPAC Name: 3-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=CC(=C1)C(F)(F)F)C=O

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Specifications

PubChem CID	67990
CAS	454-89-7
Molecular Weight (g/mol)	174.12
MDL Number	MFCD00003373
SMILES	C1=CC(=CC(=C1)C(F)(F)F)C=O
Synonym	3-trifluoromethyl benzaldehyde,m-trifluoromethylbenzaldehyde,benzaldehyde, 3-trifluoromethyl,alpha,alpha,alpha-trifluoro-m-tolualdehyde,alpha,alpha,alpha-trifluoro-3-tolualdehyde,unii-at7h4h5u3e,a,a,a-trifluoro-m-tolualdehyde,3-trifluoromethyl-benzaldehyde,mtf-bad,3-formylbenzotrifluoride
IUPAC Name	3-(trifluoromethyl)benzaldehyde
InChI Key	NMTUHPSKJJYGML-UHFFFAOYSA-N
Molecular Formula	C₈H₅F₃O

3-(Trifluoromethyl)benzyl chloride, 98%

CAS: 705-29-3 Molecular Formula: C8H6ClF3 Molecular Weight (g/mol): 194.581 MDL Number: MFCD00000908 InChI Key: XGASTRVQNVVYIZ-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzyl chloride,1-chloromethyl-3-trifluoromethyl benzene,3-trifluoromethylbenzyl chloride,3-chloromethyl benzotrifluoride,m-trifluoromethylbenzyl chloride,3-chloromethyl-benzotrifluoride,benzene, 1-chloromethyl-3-trifluoromethyl,alpha'-chloro-alpha,alpha,alpha-trifluoro-m-xylene,3-chloromethylbenzotrifluoride,3-trifluoromethylbenzylchloride PubChem CID: 69716 IUPAC Name: 1-(chloromethyl)-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)C(F)(F)F)CCl

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Specifications

PubChem CID	69716
CAS	705-29-3
Molecular Weight (g/mol)	194.581
MDL Number	MFCD00000908
SMILES	C1=CC(=CC(=C1)C(F)(F)F)CCl
Synonym	3-trifluoromethyl benzyl chloride,1-chloromethyl-3-trifluoromethyl benzene,3-trifluoromethylbenzyl chloride,3-chloromethyl benzotrifluoride,m-trifluoromethylbenzyl chloride,3-chloromethyl-benzotrifluoride,benzene, 1-chloromethyl-3-trifluoromethyl,alpha'-chloro-alpha,alpha,alpha-trifluoro-m-xylene,3-chloromethylbenzotrifluoride,3-trifluoromethylbenzylchloride
IUPAC Name	1-(chloromethyl)-3-(trifluoromethyl)benzene
InChI Key	XGASTRVQNVVYIZ-UHFFFAOYSA-N
Molecular Formula	C8H6ClF3

3,5-Bis(trifluoromethyl)benzylamine, 95%

CAS: 85068-29-7 Molecular Formula: C₉H₇F₆N Molecular Weight (g/mol): 243.15 MDL Number: MFCD00009909 InChI Key: DHVHORCFFOSRBP-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzylamine,3,5-bis trifluoromethyl phenyl methanamine,3,5-di trifluoromethyl benzylamine,3,5-ditrifluoromethylbenzylamine,mbt-bym,3,5-bis trifluoromethyl phenyl methylamine,benzenemethanamine, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl-benzylamine PubChem CID: 521099 IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methanamine SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN

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Specifications

PubChem CID	521099
CAS	85068-29-7
Molecular Weight (g/mol)	243.15
MDL Number	MFCD00009909
SMILES	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN
Synonym	3,5-bis trifluoromethyl benzylamine,3,5-bis trifluoromethyl phenyl methanamine,3,5-di trifluoromethyl benzylamine,3,5-ditrifluoromethylbenzylamine,mbt-bym,3,5-bis trifluoromethyl phenyl methylamine,benzenemethanamine, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl-benzylamine
IUPAC Name	[3,5-bis(trifluoromethyl)phenyl]methanamine
InChI Key	DHVHORCFFOSRBP-UHFFFAOYSA-N
Molecular Formula	C₉H₇F₆N

3,5-Bis(trifluoromethyl)aniline, 98+%

CAS: 328-74-5 Molecular Formula: C₈H₅F₆N Molecular Weight (g/mol): 229.12 MDL Number: MFCD00000394 InChI Key: CDIDGWDGQGVCIB-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl aniline,3,5-di trifluoromethyl aniline,benzenamine, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzenamine,3',5'-bis-trifluoromethyl aniline,3,5-bis-trifluoromethylaniline,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylidine,3,5-bis-trifluoromethyl-phenylamine,aniline, 3,5-bis trifluoromethyl PubChem CID: 9480 IUPAC Name: 3,5-bis(trifluoromethyl)aniline SMILES: C1=C(C=C(C=C1C(F)(F)F)N)C(F)(F)F

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Specifications

PubChem CID	9480
CAS	328-74-5
Molecular Weight (g/mol)	229.12
MDL Number	MFCD00000394
SMILES	C1=C(C=C(C=C1C(F)(F)F)N)C(F)(F)F
Synonym	3,5-bis trifluoromethyl aniline,3,5-di trifluoromethyl aniline,benzenamine, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzenamine,3',5'-bis-trifluoromethyl aniline,3,5-bis-trifluoromethylaniline,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylidine,3,5-bis-trifluoromethyl-phenylamine,aniline, 3,5-bis trifluoromethyl
IUPAC Name	3,5-bis(trifluoromethyl)aniline
InChI Key	CDIDGWDGQGVCIB-UHFFFAOYSA-N
Molecular Formula	C₈H₅F₆N

Ethyl 4-(trifluoromethyl)benzoate, 99%

CAS: 583-02-8 Molecular Formula: C10H9F3O2 Molecular Weight (g/mol): 218.175 MDL Number: MFCD00013563 InChI Key: ZQDADDSPMCHZPX-UHFFFAOYSA-N Synonym: ethyl 4-trifluoromethyl benzoate,4-trifluoromethyl benzoic acid ethyl ester,4-trifluoromethylbenzoic acid, ethyl ester,pubchem16913,acmc-1cs5c,ethyl-p-trifluoromethylbenzoate,ethyl-4-trifluoromethyl benzoate,4-trifluoromethylbenzoic acid ethyl ester PubChem CID: 521827 IUPAC Name: ethyl 4-(trifluoromethyl)benzoate SMILES: CCOC(=O)C1=CC=C(C=C1)C(F)(F)F

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Specifications

PubChem CID	521827
CAS	583-02-8
Molecular Weight (g/mol)	218.175
MDL Number	MFCD00013563
SMILES	CCOC(=O)C1=CC=C(C=C1)C(F)(F)F
Synonym	ethyl 4-trifluoromethyl benzoate,4-trifluoromethyl benzoic acid ethyl ester,4-trifluoromethylbenzoic acid, ethyl ester,pubchem16913,acmc-1cs5c,ethyl-p-trifluoromethylbenzoate,ethyl-4-trifluoromethyl benzoate,4-trifluoromethylbenzoic acid ethyl ester
IUPAC Name	ethyl 4-(trifluoromethyl)benzoate
InChI Key	ZQDADDSPMCHZPX-UHFFFAOYSA-N
Molecular Formula	C10H9F3O2

4-(Trifluoromethyl)benzyl alcohol, 99%

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2-Chloro-4-(trifluoromethyl)benzeneboronic acid, 96%

CAS: 254993-59-4 Molecular Formula: C7H5BClF3O2 Molecular Weight (g/mol): 224.37 MDL Number: MFCD02684337 InChI Key: JKSUCAFAUNSPLO-UHFFFAOYSA-N Synonym: 2-chloro-4-trifluoromethyl phenylboronic acid,2-chloro-4-trifluoromethylphenylboronic acid,2-chloro-4-trifluoromethyl benzeneboronic acid,2-chloro-4-trifluoromethyl phenyl boronic acid,2-chloro-4-trifluoromethyl phenylboronicacid,2-chloro-4-trifluoromethylphenyl boronic acid,boronic acid, 2-chloro-4-trifluoromethyl phenyl,2-fluoro-4-iodophenylboronicacid PubChem CID: 2783251 IUPAC Name: [2-chloro-4-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=C(Cl)C=C(C=C1)C(F)(F)F

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Specifications

PubChem CID	2783251
CAS	254993-59-4
Molecular Weight (g/mol)	224.37
MDL Number	MFCD02684337
SMILES	OB(O)C1=C(Cl)C=C(C=C1)C(F)(F)F
Synonym	2-chloro-4-trifluoromethyl phenylboronic acid,2-chloro-4-trifluoromethylphenylboronic acid,2-chloro-4-trifluoromethyl benzeneboronic acid,2-chloro-4-trifluoromethyl phenyl boronic acid,2-chloro-4-trifluoromethyl phenylboronicacid,2-chloro-4-trifluoromethylphenyl boronic acid,boronic acid, 2-chloro-4-trifluoromethyl phenyl,2-fluoro-4-iodophenylboronicacid
IUPAC Name	[2-chloro-4-(trifluoromethyl)phenyl]boronic acid
InChI Key	JKSUCAFAUNSPLO-UHFFFAOYSA-N
Molecular Formula	C7H5BClF3O2

Trifluoromethylbenzenes

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