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-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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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

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3,5-Bis(trifluoromethyl)-o-phenylenediamine, 97%

CAS: 367-65-7 Molecular Formula: C8H6F6N2 Molecular Weight (g/mol): 244.14 MDL Number: MFCD01631430 InChI Key: BRLIJPMFMGTIAW-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl-1,2-diaminobenzene,3,5-bis trifluoromethyl benzene-1,2-diamine,3,5-bis trifluoromethyl-1,2-phenylenediamine,1,2-diamino-3,5-bis trifluoromethyl benzene,1,2-benzenediamine, 3,5-bis trifluoromethyl,acmc-1cr3d,3,5-bis trifluoromethyl-o-phenylenediamine,1,2-benzenediamine,3,5-bis trifluoromethyl,3,5-bis trifluoromethyl phenylene-1,2-diamine PubChem CID: 2773214 IUPAC Name: 3,5-bis(trifluoromethyl)benzene-1,2-diamine SMILES: NC1=CC(=CC(=C1N)C(F)(F)F)C(F)(F)F

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PubChem CID	2773214
CAS	367-65-7
Molecular Weight (g/mol)	244.14
MDL Number	MFCD01631430
SMILES	NC1=CC(=CC(=C1N)C(F)(F)F)C(F)(F)F
Synonym	3,5-bis trifluoromethyl-1,2-diaminobenzene,3,5-bis trifluoromethyl benzene-1,2-diamine,3,5-bis trifluoromethyl-1,2-phenylenediamine,1,2-diamino-3,5-bis trifluoromethyl benzene,1,2-benzenediamine, 3,5-bis trifluoromethyl,acmc-1cr3d,3,5-bis trifluoromethyl-o-phenylenediamine,1,2-benzenediamine,3,5-bis trifluoromethyl,3,5-bis trifluoromethyl phenylene-1,2-diamine
IUPAC Name	3,5-bis(trifluoromethyl)benzene-1,2-diamine
InChI Key	BRLIJPMFMGTIAW-UHFFFAOYSA-N
Molecular Formula	C8H6F6N2

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3,5-Bis(trifluoromethyl)benzeneboronic acid, 97+%

CAS: 73852-19-4 Molecular Formula: C8H5BF6O2 Molecular Weight (g/mol): 257.93 MDL Number: MFCD00051850 InChI Key: BPTABBGLHGBJQR-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylboronic acid,3,5-bis trifluoromethyl benzeneboronic acid,3,5-bis trifluoromethyl phenyl boronic acid,3,5-bis-trifluoromethylphenylboronic acid,3,5-bis trifluoromethylphenyl boronic acid,3,5-bis trifluoromethyl phenylboroic acid,btfpba,3,5-bis trifluoromethyl phenyl boranediol PubChem CID: 156265 IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

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Specifications

PubChem CID	156265
CAS	73852-19-4
Molecular Weight (g/mol)	257.93
MDL Number	MFCD00051850
SMILES	OB(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Synonym	3,5-bis trifluoromethyl phenylboronic acid,3,5-bis trifluoromethyl benzeneboronic acid,3,5-bis trifluoromethyl phenyl boronic acid,3,5-bis-trifluoromethylphenylboronic acid,3,5-bis trifluoromethylphenyl boronic acid,3,5-bis trifluoromethyl phenylboroic acid,btfpba,3,5-bis trifluoromethyl phenyl boranediol
IUPAC Name	[3,5-bis(trifluoromethyl)phenyl]boronic acid
InChI Key	BPTABBGLHGBJQR-UHFFFAOYSA-N
Molecular Formula	C8H5BF6O2

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Octafluorotoluene, 98+%

CAS: 434-64-0 Molecular Formula: C7F8 Molecular Weight (g/mol): 236.06 MDL Number: MFCD00000375 InChI Key: USPWUOFNOTUBAD-UHFFFAOYSA-N Synonym: octafluorotoluene,perfluorotoluene,1,2,3,4,5-pentafluoro-6-trifluoromethyl benzene,toluene, octafluoro,benzene, pentafluoro trifluoromethyl,trifluoromethyl pentafluorobenzene,pentafluorobenzotrifluoride,1,2,3,4,5-pentafluoro-6-trifluoromethyl-benzene,benzene, 1,2,3,4,5-pentafluoro-6-trifluoromethyl,acmc-209juh PubChem CID: 9906 IUPAC Name: 1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene SMILES: FC1=C(F)C(F)=C(C(F)=C1F)C(F)(F)F

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PubChem CID	9906
CAS	434-64-0
Molecular Weight (g/mol)	236.06
MDL Number	MFCD00000375
SMILES	FC1=C(F)C(F)=C(C(F)=C1F)C(F)(F)F
Synonym	octafluorotoluene,perfluorotoluene,1,2,3,4,5-pentafluoro-6-trifluoromethyl benzene,toluene, octafluoro,benzene, pentafluoro trifluoromethyl,trifluoromethyl pentafluorobenzene,pentafluorobenzotrifluoride,1,2,3,4,5-pentafluoro-6-trifluoromethyl-benzene,benzene, 1,2,3,4,5-pentafluoro-6-trifluoromethyl,acmc-209juh
IUPAC Name	1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene
InChI Key	USPWUOFNOTUBAD-UHFFFAOYSA-N
Molecular Formula	C7F8

Niflumic acid, 99+%

CAS: 4394-00-7 Molecular Formula: C13H9F3N2O2 Molecular Weight (g/mol): 282.22 MDL Number: MFCD00010569 InChI Key: JZFPYUNJRRFVQU-UHFFFAOYSA-N Synonym: niflumic acid,nifluril,landruma,forenol,actol,acido niflumico,nifluminic acid,acide niflumique,acidum niflumicum,acide niflumique inn-french PubChem CID: 4488 ChEBI: CHEBI:34888 IUPAC Name: 2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acid SMILES: OC(=O)C1=CC=CN=C1NC1=CC=CC(=C1)C(F)(F)F

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PubChem CID	4488
CAS	4394-00-7
Molecular Weight (g/mol)	282.22
ChEBI	CHEBI:34888
MDL Number	MFCD00010569
SMILES	OC(=O)C1=CC=CN=C1NC1=CC=CC(=C1)C(F)(F)F
Synonym	niflumic acid,nifluril,landruma,forenol,actol,acido niflumico,nifluminic acid,acide niflumique,acidum niflumicum,acide niflumique inn-french
IUPAC Name	2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acid
InChI Key	JZFPYUNJRRFVQU-UHFFFAOYSA-N
Molecular Formula	C13H9F3N2O2

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3-(Trifluoromethyl)benzoyl chloride, 97%

CAS: 2251-65-2 Molecular Formula: C8H4ClF3O Molecular Weight (g/mol): 208.564 MDL Number: MFCD00000680 InChI Key: RUJYJCANMOTJMO-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzoyl chloride,benzoyl chloride, 3-trifluoromethyl,m-trifluoromethyl benzoyl chloride,m-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-m-toluoyl chloride,3-trifluoromethyl benzoylchloride,3-trifluoromethyl-benzoyl chloride,alpha,alpha,alpha-trifluoro-m-tolyl chloride,pubchem5468 PubChem CID: 75257 IUPAC Name: 3-(trifluoromethyl)benzoyl chloride SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl

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Specifications

PubChem CID	75257
CAS	2251-65-2
Molecular Weight (g/mol)	208.564
MDL Number	MFCD00000680
SMILES	C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl
Synonym	3-trifluoromethyl benzoyl chloride,benzoyl chloride, 3-trifluoromethyl,m-trifluoromethyl benzoyl chloride,m-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-m-toluoyl chloride,3-trifluoromethyl benzoylchloride,3-trifluoromethyl-benzoyl chloride,alpha,alpha,alpha-trifluoro-m-tolyl chloride,pubchem5468
IUPAC Name	3-(trifluoromethyl)benzoyl chloride
InChI Key	RUJYJCANMOTJMO-UHFFFAOYSA-N
Molecular Formula	C8H4ClF3O

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4-(Trifluoromethyl)benzoic acid, 98+%

CAS: 455-24-3 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.121 MDL Number: MFCD00002562 InChI Key: SWKPKONEIZGROQ-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzoic acid,p-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-p-toluic acid,benzoic acid, 4-trifluoromethyl,p-carboxybenzotrifluoride,4-trifluoromethyl-benzoic acid,a,a,a-trifluoro-p-toluic acid,ptf-boa,4-carboxybenzotrifluoride PubChem CID: 9966 ChEBI: CHEBI:60696 IUPAC Name: 4-(trifluoromethyl)benzoic acid SMILES: C1=CC(=CC=C1C(=O)O)C(F)(F)F

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Specifications

PubChem CID	9966
CAS	455-24-3
Molecular Weight (g/mol)	190.121
ChEBI	CHEBI:60696
MDL Number	MFCD00002562
SMILES	C1=CC(=CC=C1C(=O)O)C(F)(F)F
Synonym	4-trifluoromethyl benzoic acid,p-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-p-toluic acid,benzoic acid, 4-trifluoromethyl,p-carboxybenzotrifluoride,4-trifluoromethyl-benzoic acid,a,a,a-trifluoro-p-toluic acid,ptf-boa,4-carboxybenzotrifluoride
IUPAC Name	4-(trifluoromethyl)benzoic acid
InChI Key	SWKPKONEIZGROQ-UHFFFAOYSA-N
Molecular Formula	C8H5F3O2

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3,5-Bis(trifluoromethyl)thiophenol, 98%

CAS: 130783-02-7 Molecular Formula: C8H4F6S Molecular Weight (g/mol): 246.17 MDL Number: MFCD00042273 InChI Key: KCAQWPZIMLLEAF-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzenethiol,3,5-bis trifluoromethyl thiophenol,3,5-bis trifluoromethyl benzene-1-thiol,pubchem15275,acmc-209bji,3,5-bis trifluoromethyl-benzenethiol,3,5-bis trifluoromethyl benzenethiol # PubChem CID: 518690 IUPAC Name: 3,5-bis(trifluoromethyl)benzenethiol SMILES: C1=C(C=C(C=C1C(F)(F)F)S)C(F)(F)F

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Specifications

PubChem CID	518690
CAS	130783-02-7
Molecular Weight (g/mol)	246.17
MDL Number	MFCD00042273
SMILES	C1=C(C=C(C=C1C(F)(F)F)S)C(F)(F)F
Synonym	3,5-bis trifluoromethyl benzenethiol,3,5-bis trifluoromethyl thiophenol,3,5-bis trifluoromethyl benzene-1-thiol,pubchem15275,acmc-209bji,3,5-bis trifluoromethyl-benzenethiol,3,5-bis trifluoromethyl benzenethiol #
IUPAC Name	3,5-bis(trifluoromethyl)benzenethiol
InChI Key	KCAQWPZIMLLEAF-UHFFFAOYSA-N
Molecular Formula	C8H4F6S

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2-(Trifluoromethyl)phenylhydrazine, 97%

CAS: 365-34-4 Molecular Formula: C7H7F3N2 Molecular Weight (g/mol): 176.142 MDL Number: MFCD00052687 InChI Key: JSWQDLBFVSTSIW-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenylhydrazine,2-trifluoromethyl phenyl hydrazine,2-trifluoromethylphenylhydrazine,1-2-trifluoromethyl phenyl hydrazine,m-trifluoromethylphenylhydrazine,hydrazine, 2-trifluoromethyl phenyl,buttpark 44\57-17,2-trifluoromethyl-phenyl-hydrazine PubChem CID: 520800 IUPAC Name: [2-(trifluoromethyl)phenyl]hydrazine SMILES: C1=CC=C(C(=C1)C(F)(F)F)NN

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Specifications

PubChem CID	520800
CAS	365-34-4
Molecular Weight (g/mol)	176.142
MDL Number	MFCD00052687
SMILES	C1=CC=C(C(=C1)C(F)(F)F)NN
Synonym	2-trifluoromethyl phenylhydrazine,2-trifluoromethyl phenyl hydrazine,2-trifluoromethylphenylhydrazine,1-2-trifluoromethyl phenyl hydrazine,m-trifluoromethylphenylhydrazine,hydrazine, 2-trifluoromethyl phenyl,buttpark 44\57-17,2-trifluoromethyl-phenyl-hydrazine
IUPAC Name	[2-(trifluoromethyl)phenyl]hydrazine
InChI Key	JSWQDLBFVSTSIW-UHFFFAOYSA-N
Molecular Formula	C7H7F3N2

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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alpha,alpha,alpha-Trifluoro-m-cresol, 98+%

CAS: 98-17-9 Molecular Formula: C₇H₅F₃O Molecular Weight (g/mol): 162.11 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)	162.11
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

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4-(Trifluoromethyl)benzonitrile, 98%

CAS: 455-18-5 Molecular Formula: C8H4F3N Molecular Weight (g/mol): 171.122 MDL Number: MFCD00001826 InChI Key: DRNJIKRLQJRKMM-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzonitrile,benzonitrile, 4-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-tolunitrile,4-cyanobenzotrifluoride,p-trifluoromethylbenzonitrile,p-trifluoromethyl benzonitrile,benzonitrile, p-trifluoromethyl,p-trifluoromethylbenonitrile,para-trifluoromethyl-benzonitrile,p-cyanobenzotrifluoride PubChem CID: 67995 IUPAC Name: 4-(trifluoromethyl)benzonitrile SMILES: C1=CC(=CC=C1C#N)C(F)(F)F

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PubChem CID	67995
CAS	455-18-5
Molecular Weight (g/mol)	171.122
MDL Number	MFCD00001826
SMILES	C1=CC(=CC=C1C#N)C(F)(F)F
Synonym	4-trifluoromethyl benzonitrile,benzonitrile, 4-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-tolunitrile,4-cyanobenzotrifluoride,p-trifluoromethylbenzonitrile,p-trifluoromethyl benzonitrile,benzonitrile, p-trifluoromethyl,p-trifluoromethylbenonitrile,para-trifluoromethyl-benzonitrile,p-cyanobenzotrifluoride
IUPAC Name	4-(trifluoromethyl)benzonitrile
InChI Key	DRNJIKRLQJRKMM-UHFFFAOYSA-N
Molecular Formula	C8H4F3N

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3-(Trifluoromethyl)benzylamine, 97%

CAS: 2740-83-2 Molecular Formula: C8H8F3N Molecular Weight (g/mol): 175.154 MDL Number: MFCD00008117 InChI Key: YKNZTUQUXUXTLE-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzylamine,3-trifluoromethyl phenyl methanamine,3-trifluoromethylbenzylamine,m-trifluoromethylbenzylamine,m-trifluoromethylbenzyl amine,3-trifluoromethyl benzyl amine,benzenemethanamine, 3-trifluoromethyl,3-trifluoromethyl-benzylamine,m-trifluoromethyl benzylamine PubChem CID: 75962 IUPAC Name: [3-(trifluoromethyl)phenyl]methanamine SMILES: C1=CC(=CC(=C1)C(F)(F)F)CN

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Specifications

PubChem CID	75962
CAS	2740-83-2
Molecular Weight (g/mol)	175.154
MDL Number	MFCD00008117
SMILES	C1=CC(=CC(=C1)C(F)(F)F)CN
Synonym	3-trifluoromethyl benzylamine,3-trifluoromethyl phenyl methanamine,3-trifluoromethylbenzylamine,m-trifluoromethylbenzylamine,m-trifluoromethylbenzyl amine,3-trifluoromethyl benzyl amine,benzenemethanamine, 3-trifluoromethyl,3-trifluoromethyl-benzylamine,m-trifluoromethyl benzylamine
IUPAC Name	[3-(trifluoromethyl)phenyl]methanamine
InChI Key	YKNZTUQUXUXTLE-UHFFFAOYSA-N
Molecular Formula	C8H8F3N

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

CAS: 85068-32-2 Molecular Formula: C10H5F6N Molecular Weight (g/mol): 253.15 MDL Number: MFCD00009904 InChI Key: YXGWYBUKRTYHJM-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylacetonitrile,2-3,5-bis trifluoromethyl phenyl acetonitrile,3,5-bis trifluoromethyl benzyl cyanide,3,5-di trifluoromethyl benzyl cyanide,3,5-bis trifluoromethyl-phenylacetonitrile,3,5-bis trifluoromethyl phenyl acetonitrile,benzeneacetonitrile, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzylcyanide PubChem CID: 603657 IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile SMILES: FC(F)(F)C1=CC(=CC(CC#N)=C1)C(F)(F)F

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Specifications

PubChem CID	603657
CAS	85068-32-2
Molecular Weight (g/mol)	253.15
MDL Number	MFCD00009904
SMILES	FC(F)(F)C1=CC(=CC(CC#N)=C1)C(F)(F)F
Synonym	3,5-bis trifluoromethyl phenylacetonitrile,2-3,5-bis trifluoromethyl phenyl acetonitrile,3,5-bis trifluoromethyl benzyl cyanide,3,5-di trifluoromethyl benzyl cyanide,3,5-bis trifluoromethyl-phenylacetonitrile,3,5-bis trifluoromethyl phenyl acetonitrile,benzeneacetonitrile, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzylcyanide
IUPAC Name	2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile
InChI Key	YXGWYBUKRTYHJM-UHFFFAOYSA-N
Molecular Formula	C10H5F6N

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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

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