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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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Physical Form 
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Molecular Weight (g/mol)

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Physical Form

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4-Bromo-2-(trifluoromethyl)benzoic acid, 98%

CAS: 320-31-0 Molecular Formula: C8H4BrF3O2 Molecular Weight (g/mol): 269.02 MDL Number: MFCD07787468 InChI Key: JXHWAPDBDXPBEQ-UHFFFAOYSA-N Synonym: 4-bromo-2-trifluoromethyl benzoic acid,benzoic acid, 4-bromo-2-trifluoromethyl,2-trifluoromethyl-4-bromobenzoic acid,pubchem4738,4-bromo-2-trifluoromethyl benzoicacid,acmc-209hq4,ksc495g7n,5-bromo-2-carboxybenzotrifluoride PubChem CID: 25067392 IUPAC Name: 4-bromo-2-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=C(C=C(Br)C=C1)C(F)(F)F

PubChem CID 25067392
CAS 320-31-0
Molecular Weight (g/mol) 269.02
MDL Number MFCD07787468
SMILES OC(=O)C1=C(C=C(Br)C=C1)C(F)(F)F
Synonym 4-bromo-2-trifluoromethyl benzoic acid,benzoic acid, 4-bromo-2-trifluoromethyl,2-trifluoromethyl-4-bromobenzoic acid,pubchem4738,4-bromo-2-trifluoromethyl benzoicacid,acmc-209hq4,ksc495g7n,5-bromo-2-carboxybenzotrifluoride
IUPAC Name 4-bromo-2-(trifluoromethyl)benzoic acid
InChI Key JXHWAPDBDXPBEQ-UHFFFAOYSA-N
Molecular Formula C8H4BrF3O2
2
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3-(Trifluoromethyl)phenethylamine, 98%

CAS: 52516-30-0 Molecular Formula: C9H10F3N Molecular Weight (g/mol): 189.18 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

PubChem CID 104223
CAS 52516-30-0
Molecular Weight (g/mol) 189.18
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
3
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Benzotrifluoride, 99%

CAS: 98-08-8 Molecular Formula: C7H5F3 Molecular Weight (g/mol): 146.112 MDL Number: MFCD00000372 InChI Key: GETTZEONDQJALK-UHFFFAOYSA-N Synonym: benzotrifluoride,trifluoromethyl benzene,alpha,alpha,alpha-trifluorotoluene,phenylfluoroform,benzene, trifluoromethyl,benzenyl fluoride,benzylidyne fluoride,usaf ma-16,a,a,a-trifluorotoluene,trifluoro toluene PubChem CID: 7368 ChEBI: CHEBI:36810 IUPAC Name: trifluoromethylbenzene SMILES: C1=CC=C(C=C1)C(F)(F)F

PubChem CID 7368
CAS 98-08-8
Molecular Weight (g/mol) 146.112
ChEBI CHEBI:36810
MDL Number MFCD00000372
SMILES C1=CC=C(C=C1)C(F)(F)F
Synonym benzotrifluoride,trifluoromethyl benzene,alpha,alpha,alpha-trifluorotoluene,phenylfluoroform,benzene, trifluoromethyl,benzenyl fluoride,benzylidyne fluoride,usaf ma-16,a,a,a-trifluorotoluene,trifluoro toluene
IUPAC Name trifluoromethylbenzene
InChI Key GETTZEONDQJALK-UHFFFAOYSA-N
Molecular Formula C7H5F3
4
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3-(Trifluoromethyl)benzeneboronic acid, 98%

CAS: 1423-26-3 Molecular Formula: C7H6BF3O2 Molecular Weight (g/mol): 189.93 MDL Number: MFCD00151854 InChI Key: WOAORAPRPVIATR-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenylboronic acid,3-trifluoromethylphenylboronic acid,3-trifluoromethyl phenyl boronic acid,3-trifluoromethyl benzeneboronic acid,m-trifluoromethyl phenylboronic acid,3-trifluoromethylboronic acid,3-trifluoromethyl phenyl boranediol,3-boronobenzotrifluoride,3-trifluoromethyl benzeneboronic acid/anhydride PubChem CID: 2734388 IUPAC Name: [3-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=CC(=C1)C(F)(F)F

PubChem CID 2734388
CAS 1423-26-3
Molecular Weight (g/mol) 189.93
MDL Number MFCD00151854
SMILES OB(O)C1=CC=CC(=C1)C(F)(F)F
Synonym 3-trifluoromethyl phenylboronic acid,3-trifluoromethylphenylboronic acid,3-trifluoromethyl phenyl boronic acid,3-trifluoromethyl benzeneboronic acid,m-trifluoromethyl phenylboronic acid,3-trifluoromethylboronic acid,3-trifluoromethyl phenyl boranediol,3-boronobenzotrifluoride,3-trifluoromethyl benzeneboronic acid/anhydride
IUPAC Name [3-(trifluoromethyl)phenyl]boronic acid
InChI Key WOAORAPRPVIATR-UHFFFAOYSA-N
Molecular Formula C7H6BF3O2
5
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2-Fluoro-4-(trifluoromethyl)benzonitrile, 98%

CAS: 146070-34-0 Molecular Formula: C8H3F4N Molecular Weight (g/mol): 189.113 MDL Number: MFCD00061279 InChI Key: JLTYVTXTSOYXMX-UHFFFAOYSA-N Synonym: 2-fluoro-4-trifluoromethyl benzonitrile,3-fluoro-4-cyano-benzotrifluoride,4-cyano-3-fluorobenzotrifluoride,2-fluoro-4-trifluoromethyl-benzonitrile,benzonitrile, 2-fluoro-4-trifluoromethyl,alpha,alpha,alpha,2-tetrafluoro-p-tolunitrile,2-fluoro-4-trifluoromethyl benzenecarbonitrile,.alpha.,.alpha.,.alpha.,2-tetrafluoro-p-tolunitrile,pubchem4798,intermediates-zcf02116 PubChem CID: 518973 IUPAC Name: 2-fluoro-4-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1C(F)(F)F)F)C#N

PubChem CID 518973
CAS 146070-34-0
Molecular Weight (g/mol) 189.113
MDL Number MFCD00061279
SMILES C1=CC(=C(C=C1C(F)(F)F)F)C#N
Synonym 2-fluoro-4-trifluoromethyl benzonitrile,3-fluoro-4-cyano-benzotrifluoride,4-cyano-3-fluorobenzotrifluoride,2-fluoro-4-trifluoromethyl-benzonitrile,benzonitrile, 2-fluoro-4-trifluoromethyl,alpha,alpha,alpha,2-tetrafluoro-p-tolunitrile,2-fluoro-4-trifluoromethyl benzenecarbonitrile,.alpha.,.alpha.,.alpha.,2-tetrafluoro-p-tolunitrile,pubchem4798,intermediates-zcf02116
IUPAC Name 2-fluoro-4-(trifluoromethyl)benzonitrile
InChI Key JLTYVTXTSOYXMX-UHFFFAOYSA-N
Molecular Formula C8H3F4N
6
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4-Bromo-3-chlorobenzotrifluoride, 98%

CAS: 402-04-0 Molecular Formula: C7H3BrClF3 Molecular Weight (g/mol): 259.45 MDL Number: MFCD00673985 InChI Key: RVTIHGGJJMXISV-UHFFFAOYSA-N Synonym: 4-bromo-3-chlorobenzotrifluoride,1-bromo-2-chloro-4-trifluoromethyl benzene,1-bromo-2-chloro-4-trifluoromethyl-benzene,benzene, 1-bromo-2-chloro-4-trifluoromethyl,3-chloro-4-bromobenzotrifluoride,4-trifluoromethyl-2-chloro-bromo benzene,pubchem13478,ksc494s1t,2-chloro-4-trifluoromethylbromobenzene,4-cf3-2-chloro-bromo benzene PubChem CID: 14273266 IUPAC Name: 1-bromo-2-chloro-4-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)Br

PubChem CID 14273266
CAS 402-04-0
Molecular Weight (g/mol) 259.45
MDL Number MFCD00673985
SMILES C1=CC(=C(C=C1C(F)(F)F)Cl)Br
Synonym 4-bromo-3-chlorobenzotrifluoride,1-bromo-2-chloro-4-trifluoromethyl benzene,1-bromo-2-chloro-4-trifluoromethyl-benzene,benzene, 1-bromo-2-chloro-4-trifluoromethyl,3-chloro-4-bromobenzotrifluoride,4-trifluoromethyl-2-chloro-bromo benzene,pubchem13478,ksc494s1t,2-chloro-4-trifluoromethylbromobenzene,4-cf3-2-chloro-bromo benzene
IUPAC Name 1-bromo-2-chloro-4-(trifluoromethyl)benzene
InChI Key RVTIHGGJJMXISV-UHFFFAOYSA-N
Molecular Formula C7H3BrClF3
7
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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

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
8
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Methyl 2-amino-5-(trifluoromethyl)benzoate, 98%

CAS: 117324-58-0 Molecular Formula: C9H8F3NO2 Molecular Weight (g/mol): 219.163 MDL Number: MFCD08234902 InChI Key: QGFUDNJZHZNPCS-UHFFFAOYSA-N PubChem CID: 14233808 IUPAC Name: methyl 2-amino-5-(trifluoromethyl)benzoate SMILES: COC(=O)C1=C(C=CC(=C1)C(F)(F)F)N

PubChem CID 14233808
CAS 117324-58-0
Molecular Weight (g/mol) 219.163
MDL Number MFCD08234902
SMILES COC(=O)C1=C(C=CC(=C1)C(F)(F)F)N
IUPAC Name methyl 2-amino-5-(trifluoromethyl)benzoate
InChI Key QGFUDNJZHZNPCS-UHFFFAOYSA-N
Molecular Formula C9H8F3NO2
9
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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

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
10
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4-Methyl-2-(trifluoromethyl)benzoic acid, 98%

CAS: 120985-64-0 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.15 MDL Number: MFCD01631591 InChI Key: PHJOGJTZXVBKJO-UHFFFAOYSA-N Synonym: 4-methyl-2-trifluoromethyl benzoic acid,2-trifluoromethy-4-methybenzoic acid,2-trifluoromethyl-4-methyl-benzoic acid,4-methyl-2-trifluoromethyl-benzoic acid,2-carboxy-5-methylbenzotrifluoride,2-trifluoromethyl-p-toluic acid,4-carboxy-3-trifluoromethyl toluene,2-trifluoromethyl-4-methyl benzoic acid,4-methyl-2-trifluoromethyl benzoicacid PubChem CID: 2775591 IUPAC Name: 4-methyl-2-(trifluoromethyl)benzoic acid SMILES: CC1=CC(=C(C=C1)C(O)=O)C(F)(F)F

PubChem CID 2775591
CAS 120985-64-0
Molecular Weight (g/mol) 204.15
MDL Number MFCD01631591
SMILES CC1=CC(=C(C=C1)C(O)=O)C(F)(F)F
Synonym 4-methyl-2-trifluoromethyl benzoic acid,2-trifluoromethy-4-methybenzoic acid,2-trifluoromethyl-4-methyl-benzoic acid,4-methyl-2-trifluoromethyl-benzoic acid,2-carboxy-5-methylbenzotrifluoride,2-trifluoromethyl-p-toluic acid,4-carboxy-3-trifluoromethyl toluene,2-trifluoromethyl-4-methyl benzoic acid,4-methyl-2-trifluoromethyl benzoicacid
IUPAC Name 4-methyl-2-(trifluoromethyl)benzoic acid
InChI Key PHJOGJTZXVBKJO-UHFFFAOYSA-N
Molecular Formula C9H7F3O2
11
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4-(Trifluoromethyl)benzeneboronic acid, 98%

CAS: 128796-39-4 Molecular Formula: C7H6BF3O2 Molecular Weight (g/mol): 189.93 MDL Number: MFCD00151855 InChI Key: ALMFIOZYDASRRC-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenylboronic acid,4-trifluoromethylphenylboronic acid,4-trifluoromethyl benzeneboronic acid,4-trifluoromethyl phenyl boronic acid,4-trifluoromethylphenyl boronic acid,4-trifluoromethyl phenyl boranediol,4-boronobenzotrifluoride,p-trifluoromethyl phenylboronic acid,4-trifluoromethylphenyl-boronic acid PubChem CID: 2734389 IUPAC Name: [4-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=C(C=C1)C(F)(F)F

PubChem CID 2734389
CAS 128796-39-4
Molecular Weight (g/mol) 189.93
MDL Number MFCD00151855
SMILES OB(O)C1=CC=C(C=C1)C(F)(F)F
Synonym 4-trifluoromethyl phenylboronic acid,4-trifluoromethylphenylboronic acid,4-trifluoromethyl benzeneboronic acid,4-trifluoromethyl phenyl boronic acid,4-trifluoromethylphenyl boronic acid,4-trifluoromethyl phenyl boranediol,4-boronobenzotrifluoride,p-trifluoromethyl phenylboronic acid,4-trifluoromethylphenyl-boronic acid
IUPAC Name [4-(trifluoromethyl)phenyl]boronic acid
InChI Key ALMFIOZYDASRRC-UHFFFAOYSA-N
Molecular Formula C7H6BF3O2
12
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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

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
13
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2-(Trifluoromethyl)benzaldehyde, 98%

CAS: 447-61-0 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.122 MDL Number: MFCD00003337 InChI Key: ZDVRPKUWYQVVDX-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzaldehyde,o-trifluoromethyl benzaldehyde,o-trifluoromethylbenzaldehyde,alpha,alpha,alpha-trifluoro-o-tolualdehyde,benzaldehyde, 2-trifluoromethyl,2-trifluoromethyl-benzaldehyde,ortho-trifluoromethyl-benzaldehyde,otf-bad,trifluoromethylbenzaldehyde PubChem CID: 123067 IUPAC Name: 2-(trifluoromethyl)benzaldehyde SMILES: C1=CC=C(C(=C1)C=O)C(F)(F)F

PubChem CID 123067
CAS 447-61-0
Molecular Weight (g/mol) 174.122
MDL Number MFCD00003337
SMILES C1=CC=C(C(=C1)C=O)C(F)(F)F
Synonym 2-trifluoromethyl benzaldehyde,o-trifluoromethyl benzaldehyde,o-trifluoromethylbenzaldehyde,alpha,alpha,alpha-trifluoro-o-tolualdehyde,benzaldehyde, 2-trifluoromethyl,2-trifluoromethyl-benzaldehyde,ortho-trifluoromethyl-benzaldehyde,otf-bad,trifluoromethylbenzaldehyde
IUPAC Name 2-(trifluoromethyl)benzaldehyde
InChI Key ZDVRPKUWYQVVDX-UHFFFAOYSA-N
Molecular Formula C8H5F3O
14
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4-Methyl-2-(trifluoromethyl)benzonitrile, 98%

CAS: 261952-05-0 Molecular Formula: C9H6F3N Molecular Weight (g/mol): 185.15 MDL Number: MFCD01631596 InChI Key: WCZWEODOIUKVHX-UHFFFAOYSA-N Synonym: 4-methyl-2-trifluoromethyl benzonitrile,4-methyl-2-trifluoromethyl benzenecarbonitrile,2-cyano-5-methylbenzotrifluoride,2-trifluoromethyl-p-tolunitrile,4-cyano-3-trifluoromethyl toluene,benzonitrile,4-methyl-2-trifluoromethyl PubChem CID: 2775597 IUPAC Name: 4-methyl-2-(trifluoromethyl)benzonitrile SMILES: CC1=CC(=C(C=C1)C#N)C(F)(F)F

PubChem CID 2775597
CAS 261952-05-0
Molecular Weight (g/mol) 185.15
MDL Number MFCD01631596
SMILES CC1=CC(=C(C=C1)C#N)C(F)(F)F
Synonym 4-methyl-2-trifluoromethyl benzonitrile,4-methyl-2-trifluoromethyl benzenecarbonitrile,2-cyano-5-methylbenzotrifluoride,2-trifluoromethyl-p-tolunitrile,4-cyano-3-trifluoromethyl toluene,benzonitrile,4-methyl-2-trifluoromethyl
IUPAC Name 4-methyl-2-(trifluoromethyl)benzonitrile
InChI Key WCZWEODOIUKVHX-UHFFFAOYSA-N
Molecular Formula C9H6F3N
15
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Methyl 4-(trifluoromethyl)benzoate, 98%

CAS: 2967-66-0 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.15 MDL Number: MFCD00042324 InChI Key: VAZWXPJOOFSNLB-UHFFFAOYSA-N Synonym: methyl 4-trifluoromethyl benzoate,methyl-4-trifluoromethyl benzoate,4-trifluoromethyl benzoic acid methyl ester,methyl-4-trifluoromethylbenzoate,3-cf3-c6h4-cooch3,methyl p-trifluoromethyl benzoate,methyl alpha,alpha,alpha-trifluoro-p-toluate,benzoic acid, 4-trifluoromethyl-, methyl ester,pubchem14120,acmc-209hab PubChem CID: 520447 IUPAC Name: methyl 4-(trifluoromethyl)benzoate SMILES: COC(=O)C1=CC=C(C=C1)C(F)(F)F

PubChem CID 520447
CAS 2967-66-0
Molecular Weight (g/mol) 204.15
MDL Number MFCD00042324
SMILES COC(=O)C1=CC=C(C=C1)C(F)(F)F
Synonym methyl 4-trifluoromethyl benzoate,methyl-4-trifluoromethyl benzoate,4-trifluoromethyl benzoic acid methyl ester,methyl-4-trifluoromethylbenzoate,3-cf3-c6h4-cooch3,methyl p-trifluoromethyl benzoate,methyl alpha,alpha,alpha-trifluoro-p-toluate,benzoic acid, 4-trifluoromethyl-, methyl ester,pubchem14120,acmc-209hab
IUPAC Name methyl 4-(trifluoromethyl)benzoate
InChI Key VAZWXPJOOFSNLB-UHFFFAOYSA-N
Molecular Formula C9H7F3O2