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)benzyl bromide, 98%

CAS: 402-49-3 Molecular Formula: C8H6BrF3 Molecular Weight (g/mol): 239.035 MDL Number: MFCD00000403 InChI Key: IKSNDOVDVVPSMA-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzyl bromide,1-bromomethyl-4-trifluoromethyl benzene,4-trifluoromethylbenzyl bromide,4-bromomethyl benzotrifluoride,p-trifluoromethylbenzyl bromide,4-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-4-trifluoromethyl,4-trifluoromethylbenzylbromide,p-trifluoromethyl benzyl bromide,alpha'-bromo-alpha,alpha,alpha-trifluoro-p-xylene PubChem CID: 123062 IUPAC Name: 1-(bromomethyl)-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1CBr)C(F)(F)F

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Specifications

PubChem CID	123062
CAS	402-49-3
Molecular Weight (g/mol)	239.035
MDL Number	MFCD00000403
SMILES	C1=CC(=CC=C1CBr)C(F)(F)F
Synonym	4-trifluoromethyl benzyl bromide,1-bromomethyl-4-trifluoromethyl benzene,4-trifluoromethylbenzyl bromide,4-bromomethyl benzotrifluoride,p-trifluoromethylbenzyl bromide,4-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-4-trifluoromethyl,4-trifluoromethylbenzylbromide,p-trifluoromethyl benzyl bromide,alpha'-bromo-alpha,alpha,alpha-trifluoro-p-xylene
IUPAC Name	1-(bromomethyl)-4-(trifluoromethyl)benzene
InChI Key	IKSNDOVDVVPSMA-UHFFFAOYSA-N
Molecular Formula	C8H6BrF3

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)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-(Trifluoromethyl)benzyl alcohol, 97%

CAS: 349-75-7 Molecular Formula: C8H7F3O Molecular Weight (g/mol): 176.138 MDL Number: MFCD00004645 InChI Key: BXEHKCUWIODEDE-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzyl alcohol,3-trifluoromethylbenzyl alcohol,3-trifluoromethyl phenyl methanol,3-trifluoromethyl benzylalcohol,m-trifluoromethylbenzyl alcohol,m-trifluoromethyl benzyl alcohol,3-trifluoromethyl benzylic alcohol,benzenemethanol, 3-trifluoromethyl,m-trifluorome benzyl alcohol PubChem CID: 67681 IUPAC Name: [3-(trifluoromethyl)phenyl]methanol SMILES: C1=CC(=CC(=C1)C(F)(F)F)CO

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Specifications

PubChem CID	67681
CAS	349-75-7
Molecular Weight (g/mol)	176.138
MDL Number	MFCD00004645
SMILES	C1=CC(=CC(=C1)C(F)(F)F)CO
Synonym	3-trifluoromethyl benzyl alcohol,3-trifluoromethylbenzyl alcohol,3-trifluoromethyl phenyl methanol,3-trifluoromethyl benzylalcohol,m-trifluoromethylbenzyl alcohol,m-trifluoromethyl benzyl alcohol,3-trifluoromethyl benzylic alcohol,benzenemethanol, 3-trifluoromethyl,m-trifluorome benzyl alcohol
IUPAC Name	[3-(trifluoromethyl)phenyl]methanol
InChI Key	BXEHKCUWIODEDE-UHFFFAOYSA-N
Molecular Formula	C8H7F3O

4-(Trifluoromethyl)benzyl alcohol, 98%

CAS: 349-95-1 Molecular Formula: C8H7F3O Molecular Weight (g/mol): 176.138 MDL Number: MFCD00004661 InChI Key: MOOUWXDQAUXZRG-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzyl alcohol,4-trifluoromethyl phenyl methanol,p-trifluoromethylbenzyl alcohol,4-trifluoromethyl benzene methanol,4-trifluoromethyl benzylic alcohol,benzenemethanol, 4-trifluoromethyl,4-trifluoromethylbenzyl alcohol,ccris 5117,4-trifluoromethyl benzylalcohol PubChem CID: 67684 IUPAC Name: [4-(trifluoromethyl)phenyl]methanol SMILES: C1=CC(=CC=C1CO)C(F)(F)F

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Specifications

PubChem CID	67684
CAS	349-95-1
Molecular Weight (g/mol)	176.138
MDL Number	MFCD00004661
SMILES	C1=CC(=CC=C1CO)C(F)(F)F
Synonym	4-trifluoromethyl benzyl alcohol,4-trifluoromethyl phenyl methanol,p-trifluoromethylbenzyl alcohol,4-trifluoromethyl benzene methanol,4-trifluoromethyl benzylic alcohol,benzenemethanol, 4-trifluoromethyl,4-trifluoromethylbenzyl alcohol,ccris 5117,4-trifluoromethyl benzylalcohol
IUPAC Name	[4-(trifluoromethyl)phenyl]methanol
InChI Key	MOOUWXDQAUXZRG-UHFFFAOYSA-N
Molecular Formula	C8H7F3O

3,5-Bis(trifluoromethyl)benzyl alcohol, 98%

CAS: 32707-89-4 Molecular Formula: C9H6F6O Molecular Weight (g/mol): 244.136 MDL Number: MFCD00009907 InChI Key: BJTWPJOGDWRYDD-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzyl alcohol,3,5-bis trifluoromethyl phenyl methanol,3,5-bis-trifluoromethyl-phenyl-methanol,3,5-ditrifluoromethylbenzyl alcohol,benzenemethanol, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzylalcohol,3,5-di trifluoromethyl benzyl alcohol,3,5-di trifluoromethyl phenyl methanol,3,5-bis-trifluoromethyl benzyl alcohol PubChem CID: 122933 IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methanol SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CO

Pricing and Availability
Specifications

PubChem CID	122933
CAS	32707-89-4
Molecular Weight (g/mol)	244.136
MDL Number	MFCD00009907
SMILES	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CO
Synonym	3,5-bis trifluoromethyl benzyl alcohol,3,5-bis trifluoromethyl phenyl methanol,3,5-bis-trifluoromethyl-phenyl-methanol,3,5-ditrifluoromethylbenzyl alcohol,benzenemethanol, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzylalcohol,3,5-di trifluoromethyl benzyl alcohol,3,5-di trifluoromethyl phenyl methanol,3,5-bis-trifluoromethyl benzyl alcohol
IUPAC Name	[3,5-bis(trifluoromethyl)phenyl]methanol
InChI Key	BJTWPJOGDWRYDD-UHFFFAOYSA-N
Molecular Formula	C9H6F6O

2,4-Bis(trifluoromethyl)benzyl bromide, 97%

CAS: 140690-56-8 Molecular Formula: C9H5BrF6 Molecular Weight (g/mol): 307.033 MDL Number: MFCD00010306 InChI Key: SWFFFUJOWAJJCH-UHFFFAOYSA-N Synonym: 2,4-bis trifluoromethyl benzyl bromide,1-bromomethyl-2,4-bis trifluoromethyl benzene,2,4-bis trifluoromethyl benzylbromide,benzene, 1-bromomethyl-2,4-bis trifluoromethyl,2,4-bis trifluoromethyl-1-bromomethyl benzene,pubchem4879,acmc-1c0tm,2,4-bis-trifluoromethyl-benzylbromide,2,4-bis-trifluoromethyl benzyl bromide,2,4-bis-trifluoromethyl-benzyl bromide PubChem CID: 518871 IUPAC Name: 1-(bromomethyl)-2,4-bis(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)CBr

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Specifications

PubChem CID	518871
CAS	140690-56-8
Molecular Weight (g/mol)	307.033
MDL Number	MFCD00010306
SMILES	C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)CBr
Synonym	2,4-bis trifluoromethyl benzyl bromide,1-bromomethyl-2,4-bis trifluoromethyl benzene,2,4-bis trifluoromethyl benzylbromide,benzene, 1-bromomethyl-2,4-bis trifluoromethyl,2,4-bis trifluoromethyl-1-bromomethyl benzene,pubchem4879,acmc-1c0tm,2,4-bis-trifluoromethyl-benzylbromide,2,4-bis-trifluoromethyl benzyl bromide,2,4-bis-trifluoromethyl-benzyl bromide
IUPAC Name	1-(bromomethyl)-2,4-bis(trifluoromethyl)benzene
InChI Key	SWFFFUJOWAJJCH-UHFFFAOYSA-N
Molecular Formula	C9H5BrF6

3-(Trifluoromethyl)benzyl mercaptan, tech. 90%

CAS: 25697-55-6 Molecular Formula: C8H7F3S Molecular Weight (g/mol): 192.199 MDL Number: MFCD00042435 InChI Key: CQIQWIMXCPTQPJ-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzyl mercaptan,3-trifluoromethyl phenyl methanethiol,3-trifluoromethylbenzyl mercaptan,3-trifluoromethyl phenylmethanethiol,3-trifluoromethyl benzylthiol,m-trifluoromethylbenzyl mercaptan,3-trifluoromethyl benzylmercaptan,3-trifluoromethyl phenyl methane-1-thiol,acmc-1cnzu PubChem CID: 141236 IUPAC Name: [3-(trifluoromethyl)phenyl]methanethiol SMILES: C1=CC(=CC(=C1)C(F)(F)F)CS

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Specifications

PubChem CID	141236
CAS	25697-55-6
Molecular Weight (g/mol)	192.199
MDL Number	MFCD00042435
SMILES	C1=CC(=CC(=C1)C(F)(F)F)CS
Synonym	3-trifluoromethyl benzyl mercaptan,3-trifluoromethyl phenyl methanethiol,3-trifluoromethylbenzyl mercaptan,3-trifluoromethyl phenylmethanethiol,3-trifluoromethyl benzylthiol,m-trifluoromethylbenzyl mercaptan,3-trifluoromethyl benzylmercaptan,3-trifluoromethyl phenyl methane-1-thiol,acmc-1cnzu
IUPAC Name	[3-(trifluoromethyl)phenyl]methanethiol
InChI Key	CQIQWIMXCPTQPJ-UHFFFAOYSA-N
Molecular Formula	C8H7F3S

3,5-Bis(trifluoromethyl)benzyl bromide, 97%

CAS: 32247-96-4 Molecular Formula: C9H5BrF6 Molecular Weight (g/mol): 307.03 MDL Number: MFCD00009905 InChI Key: ATLQGZVLWOURFU-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzyl bromide,1-bromomethyl-3,5-bis trifluoromethyl benzene,3,5-di trifluoromethyl benzyl bromide,3,5-bis trifluoromethyl benzylbromide,1-bromomethyl-3,5-di trifluoromethyl benzene,3,5-bis-trifluoromethyl benzyl bromide,benzene, 1-bromomethyl-3,5-bis trifluoromethyl,1,3-bis trifluoromethyl-5-bromomethyl benzene PubChem CID: 122573 IUPAC Name: 1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC(=CC(CBr)=C1)C(F)(F)F

Pricing and Availability
Specifications

PubChem CID	122573
CAS	32247-96-4
Molecular Weight (g/mol)	307.03
MDL Number	MFCD00009905
SMILES	FC(F)(F)C1=CC(=CC(CBr)=C1)C(F)(F)F
Synonym	3,5-bis trifluoromethyl benzyl bromide,1-bromomethyl-3,5-bis trifluoromethyl benzene,3,5-di trifluoromethyl benzyl bromide,3,5-bis trifluoromethyl benzylbromide,1-bromomethyl-3,5-di trifluoromethyl benzene,3,5-bis-trifluoromethyl benzyl bromide,benzene, 1-bromomethyl-3,5-bis trifluoromethyl,1,3-bis trifluoromethyl-5-bromomethyl benzene
IUPAC Name	1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene
InChI Key	ATLQGZVLWOURFU-UHFFFAOYSA-N
Molecular Formula	C9H5BrF6

4-(Trifluoromethyl)benzyl alcohol, 99%

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2-Fluoro-6-(trifluoromethyl)benzyl bromide, 95%, Thermo Scientific™

CAS: 239087-08-2 Molecular Formula: C₈H₅BrF₄ Molecular Weight (g/mol): 257.03 InChI Key: RINUERVPFANASB-UHFFFAOYSA-N Synonym: 2-fluoro-6-trifluoromethyl benzyl bromide,2-bromomethyl-1-fluoro-3-trifluoromethyl benzene,2-fluoro-6-trifluoromethylbenzyl bromide,2-fluoro-6-trifluoromethylbenzylbromide,2-fluoro-6-trifluoromethyl benzylbromide,2-bromomethyl-3-fluorobenzotrifluoride,alpha-bromo-2-fluoro-6-trifluoromethyl toluene,benzene, 2-bromomethyl-1-fluoro-3-trifluoromethyl,pubchem4932,acmc-1cg83 PubChem CID: 2737573 IUPAC Name: 2-(bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene SMILES: C1=CC(=C(C(=C1)F)CBr)C(F)(F)F

Pricing and Availability
Specifications

PubChem CID	2737573
CAS	239087-08-2
Molecular Weight (g/mol)	257.03
SMILES	C1=CC(=C(C(=C1)F)CBr)C(F)(F)F
Synonym	2-fluoro-6-trifluoromethyl benzyl bromide,2-bromomethyl-1-fluoro-3-trifluoromethyl benzene,2-fluoro-6-trifluoromethylbenzyl bromide,2-fluoro-6-trifluoromethylbenzylbromide,2-fluoro-6-trifluoromethyl benzylbromide,2-bromomethyl-3-fluorobenzotrifluoride,alpha-bromo-2-fluoro-6-trifluoromethyl toluene,benzene, 2-bromomethyl-1-fluoro-3-trifluoromethyl,pubchem4932,acmc-1cg83
IUPAC Name	2-(bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene
InChI Key	RINUERVPFANASB-UHFFFAOYSA-N
Molecular Formula	C₈H₅BrF₄

3-Chloro-4-(trifluoromethyl)benzyl bromide, 97%, Thermo Scientific™

CAS: 361393-92-2 Molecular Formula: C8H5BrClF3 Molecular Weight (g/mol): 273.477 MDL Number: MFCD11519327 InChI Key: DRGNXDDQVUFCEF-UHFFFAOYSA-N Synonym: 3-chloro-4-trifluoromethyl benzyl bromide,4-bromomethyl-2-chloro-1-trifluoromethyl benzene,3-chloro-4-trifluoromethylbenzylbromide,3-chloro-4-trifluoromethyl benzyl bromide, jrd,4-bromomethyl-2-chloro-1-trifluoromethyl benzen,benzene, 4-bromomethyl-2-chloro-1-trifluoromethyl PubChem CID: 23512765 IUPAC Name: 4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1CBr)Cl)C(F)(F)F

Pricing and Availability
Specifications

PubChem CID	23512765
CAS	361393-92-2
Molecular Weight (g/mol)	273.477
MDL Number	MFCD11519327
SMILES	C1=CC(=C(C=C1CBr)Cl)C(F)(F)F
Synonym	3-chloro-4-trifluoromethyl benzyl bromide,4-bromomethyl-2-chloro-1-trifluoromethyl benzene,3-chloro-4-trifluoromethylbenzylbromide,3-chloro-4-trifluoromethyl benzyl bromide, jrd,4-bromomethyl-2-chloro-1-trifluoromethyl benzen,benzene, 4-bromomethyl-2-chloro-1-trifluoromethyl
IUPAC Name	4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene
InChI Key	DRGNXDDQVUFCEF-UHFFFAOYSA-N
Molecular Formula	C8H5BrClF3

4-Chloro-3-(trifluoromethyl)benzyl chloride, Thermo Scientific™

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4-Fluoro-2-(trifluoromethyl)benzyl bromide, 98%, Thermo Scientific™

Pricing and Availability

N-Methyl-3-(trifluoromethyl)benzylamine, 95%

CAS: 90390-07-1 Molecular Formula: C9H10F3N Molecular Weight (g/mol): 189.181 MDL Number: MFCD04115410 InChI Key: JFLPPELZYKHKQZ-UHFFFAOYSA-N Synonym: n-methyl-3-trifluoromethyl benzylamine,n-methyl-n-3-trifluoromethyl benzyl amine,n-methyl-1-3-trifluoromethyl phenyl methanamine,methyl 3-trifluoromethyl phenyl methyl amine,benzenemethanamine, n-methyl-3-trifluoromethyl,n-methyl 3-trifluoromethyl phenyl methanamine,n-methyl-1-3-trifluoromethyl phenyl methanamine hydrochloride,chembrdg-bb 4004318,methyl-3-trifluoromethyl-benzyl-amine PubChem CID: 485414 IUPAC Name: N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine SMILES: CNCC1=CC(=CC=C1)C(F)(F)F

Pricing and Availability
Specifications

PubChem CID	485414
CAS	90390-07-1
Molecular Weight (g/mol)	189.181
MDL Number	MFCD04115410
SMILES	CNCC1=CC(=CC=C1)C(F)(F)F
Synonym	n-methyl-3-trifluoromethyl benzylamine,n-methyl-n-3-trifluoromethyl benzyl amine,n-methyl-1-3-trifluoromethyl phenyl methanamine,methyl 3-trifluoromethyl phenyl methyl amine,benzenemethanamine, n-methyl-3-trifluoromethyl,n-methyl 3-trifluoromethyl phenyl methanamine,n-methyl-1-3-trifluoromethyl phenyl methanamine hydrochloride,chembrdg-bb 4004318,methyl-3-trifluoromethyl-benzyl-amine
IUPAC Name	N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
InChI Key	JFLPPELZYKHKQZ-UHFFFAOYSA-N
Molecular Formula	C9H10F3N

Trifluoromethylbenzenes

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