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-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

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Specifications

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

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4-(Trifluoromethyl)benzoyl chloride, 97%

CAS: 329-15-7 Molecular Formula: C8H4ClF3O Molecular Weight (g/mol): 208.56 MDL Number: MFCD00000694 InChI Key: OXZYBOLWRXENKT-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzoyl chloride,p-trifluoromethyl benzoyl chloride,p-trifluoromethylbenzoyl chloride,benzoyl chloride, 4-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluoyl chloride,4-trifluoromethyl benzoylchloride,p-trifluoromethyl benzoic acid chloride,ptf-boc,4-trifluoromethylbenzoylchloride,4-trifluoromethyl-benzoyl chloride PubChem CID: 67607 IUPAC Name: 4-(trifluoromethyl)benzoyl chloride SMILES: FC(F)(F)C1=CC=C(C=C1)C(Cl)=O

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Specifications

PubChem CID	67607
CAS	329-15-7
Molecular Weight (g/mol)	208.56
MDL Number	MFCD00000694
SMILES	FC(F)(F)C1=CC=C(C=C1)C(Cl)=O
Synonym	4-trifluoromethyl benzoyl chloride,p-trifluoromethyl benzoyl chloride,p-trifluoromethylbenzoyl chloride,benzoyl chloride, 4-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluoyl chloride,4-trifluoromethyl benzoylchloride,p-trifluoromethyl benzoic acid chloride,ptf-boc,4-trifluoromethylbenzoylchloride,4-trifluoromethyl-benzoyl chloride
IUPAC Name	4-(trifluoromethyl)benzoyl chloride
InChI Key	OXZYBOLWRXENKT-UHFFFAOYSA-N
Molecular Formula	C8H4ClF3O

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4-Trifluoromethyl-alpha-toluenesulfonyl chloride, 97%, Thermo Scientific Chemicals

CAS: 163295-75-8 Molecular Formula: C8H6ClF3O2S Molecular Weight (g/mol): 258.64 MDL Number: MFCD01631932 InChI Key: KKBNUPMMAGEQAT-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenyl methanesulfonyl chloride,4-trifluoromethylbenzylsulfonyl chloride,4-trifluoromethyl benzylsulfonyl chloride,4-trifluoromethyl phenyl methyl sulfonyl chloride,4-chlorosulphonyl methyl benzotrifluoride,4-trifluoromethyl-alpha-toluenesulfonyl chloride,4-trifluoromethylphenyl methanesulfonyl chloride,4-trifluoromethyl-phenyl-methanesulfonyl chloride,alpha-chlorosulphonyl-4-trifluoromethyl toluene PubChem CID: 594332 IUPAC Name: [4-(trifluoromethyl)phenyl]methanesulfonyl chloride SMILES: FC(F)(F)C1=CC=C(CS(Cl)(=O)=O)C=C1

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Specifications

PubChem CID	594332
CAS	163295-75-8
Molecular Weight (g/mol)	258.64
MDL Number	MFCD01631932
SMILES	FC(F)(F)C1=CC=C(CS(Cl)(=O)=O)C=C1
Synonym	4-trifluoromethyl phenyl methanesulfonyl chloride,4-trifluoromethylbenzylsulfonyl chloride,4-trifluoromethyl benzylsulfonyl chloride,4-trifluoromethyl phenyl methyl sulfonyl chloride,4-chlorosulphonyl methyl benzotrifluoride,4-trifluoromethyl-alpha-toluenesulfonyl chloride,4-trifluoromethylphenyl methanesulfonyl chloride,4-trifluoromethyl-phenyl-methanesulfonyl chloride,alpha-chlorosulphonyl-4-trifluoromethyl toluene
IUPAC Name	[4-(trifluoromethyl)phenyl]methanesulfonyl chloride
InChI Key	KKBNUPMMAGEQAT-UHFFFAOYSA-N
Molecular Formula	C8H6ClF3O2S

3-(Trifluoromethyl)phenyltrimethylammonium hydroxide, 5% w/v in methanol

CAS: 68254-41-1 Molecular Formula: C10H14F3NO Molecular Weight (g/mol): 221.223 MDL Number: MFCD00059473 InChI Key: BFPOZPZYPNVMHU-UHFFFAOYSA-M Synonym: 3-trifluoromethyl phenyltrimethylammonium hydroxide,m-tfptah,trifluoromethylphenyltrimethylammoniumhydroxide,3-trifluoromethyl phenyltrimethylammonium hydroxide in methanol,n,n,n-trimethyl-3-trifluoromethyl anilinium hydroxide,trimethyl-3-trifluoromethyl phenyl azanium hydroxide,m-trifluoromethylphenyl trimethylammonium hydroxide,trimethyl-3-trifluoromethylphenylammonium hydroxide,n,n,n-trimethyl-3-trifluoromethyl anilinium oxidanide,trimethyl-alpha,alpha,alpha-trifluoro-m-tolylammonium hydroxide PubChem CID: 2760772 IUPAC Name: trimethyl-[3-(trifluoromethyl)phenyl]azanium;hydroxide SMILES: C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F.[OH-]

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Specifications

PubChem CID	2760772
CAS	68254-41-1
Molecular Weight (g/mol)	221.223
MDL Number	MFCD00059473
SMILES	C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F.[OH-]
Synonym	3-trifluoromethyl phenyltrimethylammonium hydroxide,m-tfptah,trifluoromethylphenyltrimethylammoniumhydroxide,3-trifluoromethyl phenyltrimethylammonium hydroxide in methanol,n,n,n-trimethyl-3-trifluoromethyl anilinium hydroxide,trimethyl-3-trifluoromethyl phenyl azanium hydroxide,m-trifluoromethylphenyl trimethylammonium hydroxide,trimethyl-3-trifluoromethylphenylammonium hydroxide,n,n,n-trimethyl-3-trifluoromethyl anilinium oxidanide,trimethyl-alpha,alpha,alpha-trifluoro-m-tolylammonium hydroxide
IUPAC Name	trimethyl-[3-(trifluoromethyl)phenyl]azanium;hydroxide
InChI Key	BFPOZPZYPNVMHU-UHFFFAOYSA-M
Molecular Formula	C10H14F3NO

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3,5-Bis(trifluoromethyl)phenol, 97%

CAS: 349-58-6 Molecular Formula: C8H4F6O Molecular Weight (g/mol): 230.109 MDL Number: MFCD00000386 InChI Key: ODSXJQYJADZFJX-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenol,phenol, 3,5-bis trifluoromethyl,3,5-di trifluoromethyl phenol,3,5-bis-trifluoromethylphenol,3,5-ditrifluoromethylphenol,3,5-bis-trifluoromethyl phenol,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylenol,pubchem12483,mbt-oh,acmc-1clsr PubChem CID: 67680 IUPAC Name: 3,5-bis(trifluoromethyl)phenol SMILES: C1=C(C=C(C=C1C(F)(F)F)O)C(F)(F)F

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Specifications

PubChem CID	67680
CAS	349-58-6
Molecular Weight (g/mol)	230.109
MDL Number	MFCD00000386
SMILES	C1=C(C=C(C=C1C(F)(F)F)O)C(F)(F)F
Synonym	3,5-bis trifluoromethyl phenol,phenol, 3,5-bis trifluoromethyl,3,5-di trifluoromethyl phenol,3,5-bis-trifluoromethylphenol,3,5-ditrifluoromethylphenol,3,5-bis-trifluoromethyl phenol,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylenol,pubchem12483,mbt-oh,acmc-1clsr
IUPAC Name	3,5-bis(trifluoromethyl)phenol
InChI Key	ODSXJQYJADZFJX-UHFFFAOYSA-N
Molecular Formula	C8H4F6O

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3,5-Bis(trifluoromethyl)benzenesulfonyl chloride, 97%

CAS: 39234-86-1 Molecular Formula: C8H3ClF6O2S Molecular Weight (g/mol): 312.61 MDL Number: MFCD00014725 InChI Key: BTRCVKADYDVSLI-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzenesulfonyl chloride,3,5-bis trifluoromethyl benzene-1-sulfonyl chloride,3,5-bis trifluoromethyl benzenesulphonyl chloride,3,5-di trifluoromethyl benzene-1-sulfonyl chloride,3,5-ditrifluoromethylbenzenesulfonyl chloride,benzenesulfonyl chloride, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl phenylsulfonyl chloride,3,5-bis-trifluoromethyl-benzenesulfonyl chloride,3,5-di trifluoromethyl benzene sulfonyl chloride,pubchem2724 PubChem CID: 520945 IUPAC Name: 3,5-bis(trifluoromethyl)benzenesulfonyl chloride SMILES: C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)Cl)C(F)(F)F

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Specifications

PubChem CID	520945
CAS	39234-86-1
Molecular Weight (g/mol)	312.61
MDL Number	MFCD00014725
SMILES	C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)Cl)C(F)(F)F
Synonym	3,5-bis trifluoromethyl benzenesulfonyl chloride,3,5-bis trifluoromethyl benzene-1-sulfonyl chloride,3,5-bis trifluoromethyl benzenesulphonyl chloride,3,5-di trifluoromethyl benzene-1-sulfonyl chloride,3,5-ditrifluoromethylbenzenesulfonyl chloride,benzenesulfonyl chloride, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl phenylsulfonyl chloride,3,5-bis-trifluoromethyl-benzenesulfonyl chloride,3,5-di trifluoromethyl benzene sulfonyl chloride,pubchem2724
IUPAC Name	3,5-bis(trifluoromethyl)benzenesulfonyl chloride
InChI Key	BTRCVKADYDVSLI-UHFFFAOYSA-N
Molecular Formula	C8H3ClF6O2S

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4-Nitro-2-(trifluoromethyl)aniline, 98%

CAS: 121-01-7 Molecular Formula: C7H5F3N2O2 Molecular Weight (g/mol): 206.124 MDL Number: MFCD00007365 InChI Key: HOTZLWVITTVZGY-UHFFFAOYSA-N Synonym: 2-amino-5-nitrobenzotrifluoride,4-nitro-2-trifluoromethyl aniline,2-amino-5-nitro-trifluorobenzene,4-nitro-alpha,alpha,alpha-trifluoro-o-toluidine,4-nitro-2-trifluoromethyl benzenamine,4-nitro-a,a,a-trifluoro-o-toluidine,benzenamine, 4-nitro-2-trifluoromethyl,5-nitro-2-aminobenzotrifluoride,2-trifluoromethyl-4-nitroaniline,a,a,a-trifluoro-4-nitro-o-toluidine PubChem CID: 67128 IUPAC Name: 4-nitro-2-(trifluoromethyl)aniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)N

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Specifications

PubChem CID	67128
CAS	121-01-7
Molecular Weight (g/mol)	206.124
MDL Number	MFCD00007365
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)N
Synonym	2-amino-5-nitrobenzotrifluoride,4-nitro-2-trifluoromethyl aniline,2-amino-5-nitro-trifluorobenzene,4-nitro-alpha,alpha,alpha-trifluoro-o-toluidine,4-nitro-2-trifluoromethyl benzenamine,4-nitro-a,a,a-trifluoro-o-toluidine,benzenamine, 4-nitro-2-trifluoromethyl,5-nitro-2-aminobenzotrifluoride,2-trifluoromethyl-4-nitroaniline,a,a,a-trifluoro-4-nitro-o-toluidine
IUPAC Name	4-nitro-2-(trifluoromethyl)aniline
InChI Key	HOTZLWVITTVZGY-UHFFFAOYSA-N
Molecular Formula	C7H5F3N2O2

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3-(Trifluoromethyl)phenyl isothiocyanate, 98%

CAS: 1840-19-3 Molecular Formula: C8H4F3NS Molecular Weight (g/mol): 203.182 MDL Number: MFCD00004806 InChI Key: GFEPANUKFYVALF-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-3-trifluoromethyl benzene,3-trifluoromethyl phenylisothiocyanate,benzene, 1-isothiocyanato-3-trifluoromethyl,m-trifluoromethyl phenyl isothiocyanate,alpha,alpha,alpha-trifluoro-m-tolyl isothiocyanate,3-trifluoromethylphenyl isothiocyanate,1-isothiocyanato-3-trifluoromethyl-benzene,benzene,1-isothiocyanato-3-trifluoromethyl PubChem CID: 137232 IUPAC Name: 1-isothiocyanato-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)N=C=S)C(F)(F)F

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Specifications

PubChem CID	137232
CAS	1840-19-3
Molecular Weight (g/mol)	203.182
MDL Number	MFCD00004806
SMILES	C1=CC(=CC(=C1)N=C=S)C(F)(F)F
Synonym	3-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-3-trifluoromethyl benzene,3-trifluoromethyl phenylisothiocyanate,benzene, 1-isothiocyanato-3-trifluoromethyl,m-trifluoromethyl phenyl isothiocyanate,alpha,alpha,alpha-trifluoro-m-tolyl isothiocyanate,3-trifluoromethylphenyl isothiocyanate,1-isothiocyanato-3-trifluoromethyl-benzene,benzene,1-isothiocyanato-3-trifluoromethyl
IUPAC Name	1-isothiocyanato-3-(trifluoromethyl)benzene
InChI Key	GFEPANUKFYVALF-UHFFFAOYSA-N
Molecular Formula	C8H4F3NS

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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

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Specifications

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

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3,5-Bis(trifluoromethyl)phenylhydrazine hydrochloride, 98%, Thermo Scientific Chemicals

CAS: 502496-23-3 Molecular Formula: C8H7ClF6N2 Molecular Weight (g/mol): 280.598 MDL Number: MFCD03094165 InChI Key: OPIOKSFIERNABH-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylhydrazine hydrochloride,3,5-ditrifluoromethylphenylhydrazine hydrochloride,3,5-bis trifluoromethyl phenyl hydrazine hydrochloride,3,5-bis trifluoromethyl phenylhydrazinehydrochloride,3,5-bis trifluoromethy phenylhydrazine hcl,3,5-bis trifluoromethyl phenylhydrazine hcl,ksc491e7p,3,5-bis trifluoromethyl phenylhydrazine hydrochlor PubChem CID: 12494556 IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]hydrazine;hydrochloride SMILES: C1=C(C=C(C=C1C(F)(F)F)NN)C(F)(F)F.Cl

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Specifications

PubChem CID	12494556
CAS	502496-23-3
Molecular Weight (g/mol)	280.598
MDL Number	MFCD03094165
SMILES	C1=C(C=C(C=C1C(F)(F)F)NN)C(F)(F)F.Cl
Synonym	3,5-bis trifluoromethyl phenylhydrazine hydrochloride,3,5-ditrifluoromethylphenylhydrazine hydrochloride,3,5-bis trifluoromethyl phenyl hydrazine hydrochloride,3,5-bis trifluoromethyl phenylhydrazinehydrochloride,3,5-bis trifluoromethy phenylhydrazine hcl,3,5-bis trifluoromethyl phenylhydrazine hcl,ksc491e7p,3,5-bis trifluoromethyl phenylhydrazine hydrochlor
IUPAC Name	[3,5-bis(trifluoromethyl)phenyl]hydrazine;hydrochloride
InChI Key	OPIOKSFIERNABH-UHFFFAOYSA-N
Molecular Formula	C8H7ClF6N2

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3-Nitrobenzotrifluoride, 97%

CAS: 98-46-4 Molecular Formula: C7H4F3NO2 Molecular Weight (g/mol): 191.109 MDL Number: MFCD00007260 InChI Key: WHNAMGUAXHGCHH-UHFFFAOYSA-N Synonym: 3-nitrobenzotrifluoride,1-nitro-3-trifluoromethyl benzene,m-nitrobenzotrifluoride,3-trifluoromethyl nitrobenzene,m-nitrotrifluorotoluene,benzene, 1-nitro-3-trifluoromethyl,1,3-nitrobenzotrifluoride,m-nitrotrifluortoluol,usaf ma-5,3-trifluoromethylnitrobenzene PubChem CID: 7386 IUPAC Name: 1-nitro-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F

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Specifications

PubChem CID	7386
CAS	98-46-4
Molecular Weight (g/mol)	191.109
MDL Number	MFCD00007260
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F
Synonym	3-nitrobenzotrifluoride,1-nitro-3-trifluoromethyl benzene,m-nitrobenzotrifluoride,3-trifluoromethyl nitrobenzene,m-nitrotrifluorotoluene,benzene, 1-nitro-3-trifluoromethyl,1,3-nitrobenzotrifluoride,m-nitrotrifluortoluol,usaf ma-5,3-trifluoromethylnitrobenzene
IUPAC Name	1-nitro-3-(trifluoromethyl)benzene
InChI Key	WHNAMGUAXHGCHH-UHFFFAOYSA-N
Molecular Formula	C7H4F3NO2

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3,5-Bis(trifluoromethyl)bromobenzene, 99%

CAS: 328-70-1 Molecular Formula: C₈H₃BrF₆ Molecular Weight (g/mol): 293.01 InChI Key: CSVCVIHEBDJTCJ-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl bromobenzene,1-bromo-3,5-bis trifluoromethyl benzene,1,3-bis trifluoromethyl-5-bromobenzene,mbt-br,3,5-di trifluoromethyl bromobenzene,3,5-bis trifluoromethyl-1-bromobenzene,3,5-bis-trifluoromethylbromobenzene,benzene, 1-bromo-3,5-bis trifluoromethyl,3,5-bis trifluoromethyl phenyl bromide,1-bromo-3,5-bis-trifluoromethyl-benzene PubChem CID: 67602 IUPAC Name: 1-bromo-3,5-bis(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1C(F)(F)F)Br)C(F)(F)F

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Specifications

PubChem CID	67602
CAS	328-70-1
Molecular Weight (g/mol)	293.01
SMILES	C1=C(C=C(C=C1C(F)(F)F)Br)C(F)(F)F
Synonym	3,5-bis trifluoromethyl bromobenzene,1-bromo-3,5-bis trifluoromethyl benzene,1,3-bis trifluoromethyl-5-bromobenzene,mbt-br,3,5-di trifluoromethyl bromobenzene,3,5-bis trifluoromethyl-1-bromobenzene,3,5-bis-trifluoromethylbromobenzene,benzene, 1-bromo-3,5-bis trifluoromethyl,3,5-bis trifluoromethyl phenyl bromide,1-bromo-3,5-bis-trifluoromethyl-benzene
IUPAC Name	1-bromo-3,5-bis(trifluoromethyl)benzene
InChI Key	CSVCVIHEBDJTCJ-UHFFFAOYSA-N
Molecular Formula	C₈H₃BrF₆

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4-(Trifluoromethyl)phenylacetylene, 97%

CAS: 705-31-7 Molecular Formula: C9H5F3 Molecular Weight (g/mol): 170.13 MDL Number: MFCD01861903 InChI Key: XTKBMZQCDBHHKY-UHFFFAOYSA-N Synonym: 1-ethynyl-4-trifluoromethyl benzene,4'-trifluoromethylphenyl acetylene,4-trifluoromethyl phenylacetylene,4-ethynyl-alpha,alpha,alpha-trifluorotoluene,4-ethynylbenzotrifluoride,4-ethynyl-a,a,a-trifluorotoluene,4-ethynyl trifluorotoluene,benzene, 1-ethynyl-4-trifluoromethyl,1-ethynyl-4-trifluoromethyl-benzene,4-ethynyl-1-trifluoromethyl benzene PubChem CID: 4348295 IUPAC Name: 1-ethynyl-4-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC=C(C=C1)C#C

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Specifications

PubChem CID	4348295
CAS	705-31-7
Molecular Weight (g/mol)	170.13
MDL Number	MFCD01861903
SMILES	FC(F)(F)C1=CC=C(C=C1)C#C
Synonym	1-ethynyl-4-trifluoromethyl benzene,4'-trifluoromethylphenyl acetylene,4-trifluoromethyl phenylacetylene,4-ethynyl-alpha,alpha,alpha-trifluorotoluene,4-ethynylbenzotrifluoride,4-ethynyl-a,a,a-trifluorotoluene,4-ethynyl trifluorotoluene,benzene, 1-ethynyl-4-trifluoromethyl,1-ethynyl-4-trifluoromethyl-benzene,4-ethynyl-1-trifluoromethyl benzene
IUPAC Name	1-ethynyl-4-(trifluoromethyl)benzene
InChI Key	XTKBMZQCDBHHKY-UHFFFAOYSA-N
Molecular Formula	C9H5F3

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3,5-Bis(trifluoromethyl)phenyl isothiocyanate, +99%, Thermo Scientific Chemicals

CAS: 23165-29-9 Molecular Formula: C9H3F6NS Molecular Weight (g/mol): 271.18 MDL Number: MFCD00040838 InChI Key: FXOSSGVJGGNASE-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl phenylisothiocyanate,isothiocyanic acid 3,5-bis trifluoromethyl phenyl ester,3,5-di trifluoromethyl phenyl isothiocyanate,3,5-bis-trifluoromethyl phenyl isothiocyanate,3,5-bis-trifluoromethylphenyl isothiocyanate,benzene, 1-isothiocyanato-3,5-bis trifluoromethyl,pubchem5019,acmc-209g1w PubChem CID: 2733395 IUPAC Name: 1-isothiocyanato-3,5-bis(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC(=CC(=C1)N=C=S)C(F)(F)F

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Specifications

PubChem CID	2733395
CAS	23165-29-9
Molecular Weight (g/mol)	271.18
MDL Number	MFCD00040838
SMILES	FC(F)(F)C1=CC(=CC(=C1)N=C=S)C(F)(F)F
Synonym	3,5-bis trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl phenylisothiocyanate,isothiocyanic acid 3,5-bis trifluoromethyl phenyl ester,3,5-di trifluoromethyl phenyl isothiocyanate,3,5-bis-trifluoromethyl phenyl isothiocyanate,3,5-bis-trifluoromethylphenyl isothiocyanate,benzene, 1-isothiocyanato-3,5-bis trifluoromethyl,pubchem5019,acmc-209g1w
IUPAC Name	1-isothiocyanato-3,5-bis(trifluoromethyl)benzene
InChI Key	FXOSSGVJGGNASE-UHFFFAOYSA-N
Molecular Formula	C9H3F6NS

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4-Chloro-3-(trifluoromethyl)phenyl isothiocyanate, 97%

CAS: 23163-86-2 Molecular Formula: C8H3ClF3NS Molecular Weight (g/mol): 237.624 MDL Number: MFCD00041090 InChI Key: AHFPRSSHNSGRCU-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl phenyl isothiocyanate,1-chloro-4-isothiocyanato-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl phenylisothiocyanate,4-chloro-3-trifluoromethylphenyl isothiocyanate,1-chloro-4-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-chloro-4-isothiocyanato-2-trifluoromethyl,4-chloro-3-trifluoromethyl benzenisothiocyanate,acmc-20amlf,pubchem5016,4-chloro-3-trifluoromethylphenylisothiocyanate PubChem CID: 520026 IUPAC Name: 1-chloro-4-isothiocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1N=C=S)C(F)(F)F)Cl

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Specifications

PubChem CID	520026
CAS	23163-86-2
Molecular Weight (g/mol)	237.624
MDL Number	MFCD00041090
SMILES	C1=CC(=C(C=C1N=C=S)C(F)(F)F)Cl
Synonym	4-chloro-3-trifluoromethyl phenyl isothiocyanate,1-chloro-4-isothiocyanato-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl phenylisothiocyanate,4-chloro-3-trifluoromethylphenyl isothiocyanate,1-chloro-4-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-chloro-4-isothiocyanato-2-trifluoromethyl,4-chloro-3-trifluoromethyl benzenisothiocyanate,acmc-20amlf,pubchem5016,4-chloro-3-trifluoromethylphenylisothiocyanate
IUPAC Name	1-chloro-4-isothiocyanato-2-(trifluoromethyl)benzene
InChI Key	AHFPRSSHNSGRCU-UHFFFAOYSA-N
Molecular Formula	C8H3ClF3NS

Trifluoromethylbenzenes

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