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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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1

Sigma Aldrich (4-methylaminosulfonylphenyl)boronic acid

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

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2

Sigma Aldrich (4-[(dimethylamino)methyl]phenyl)boronic acid

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

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3

4-(Trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™

CAS: 128796-39-4 Molecular Formula: C7H6BF3O2 MDL Number: MFCD00151855 InChI Key: ALMFIOZYDASRRC-UHFFFAOYSA-N PubChem CID: 2734389 IUPAC Name: [4-(trifluoromethyl)phenyl]boronic acid

PubChem CID 2734389
CAS 128796-39-4
MDL Number MFCD00151855
IUPAC Name [4-(trifluoromethyl)phenyl]boronic acid
InChI Key ALMFIOZYDASRRC-UHFFFAOYSA-N
Molecular Formula C7H6BF3O2
4

2-Fluoro-3-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 16217169
CAS 157834-21-4
Molecular Weight (g/mol) 207.919
MDL Number MFCD07784336
Color White
Physical Form Crystalline Powder
SMILES B(C1=C(C(=CC=C1)C(F)(F)F)F)(O)O
TSCA No
IUPAC Name [2-fluoro-3-(trifluoromethyl)phenyl]boronic acid
InChI Key PKARAEQMGHJHMY-UHFFFAOYSA-N
Molecular Formula C7H5BF4O2
Formula Weight 207.92
Melting Point 58°C
5

4-Chloro-3-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™

Boiling Point 236°C
PubChem CID 2782671
CAS 176976-42-4
Molecular Weight (g/mol) 224.37
MDL Number MFCD03094999
Color White
Physical Form Crystalline Powder
SMILES B(C1=CC(=C(C=C1)Cl)C(F)(F)F)(O)O
TSCA No
IUPAC Name [4-chloro-3-(trifluoromethyl)phenyl]boronic acid
InChI Key XHKNQBNGLMOTDB-UHFFFAOYSA-N
Molecular Formula C7H5BClF3O2
Formula Weight 224.37
6

4-Methoxy-3-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™

CAS: 149507-36-8 Molecular Formula: C8H8BF3O3 Molecular Weight (g/mol): 219.954 MDL Number: MFCD07363790 InChI Key: BUSMBMGODABSIN-UHFFFAOYSA-N Synonym: 4-methoxy-3-trifluoromethyl phenyl boronic acid,4-methoxy-3-trifluoromethylphenylboronic acid,3-trifluoromethyl-4-methoxy-phenylboronic acid,4-methoxy-3-trifluoromethylphenyl boronic acid,4-methoxy-3-trifluoromethyl benzeneboronic acid,4-methoxy-3-trifluoromethyl phenylboronic acid,boronic acid, 4-methoxy-3-trifluoromethyl phenyl,acmc-1c5ik PubChem CID: 17750052 IUPAC Name: [4-methoxy-3-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)OC)C(F)(F)F)(O)O

PubChem CID 17750052
CAS 149507-36-8
Molecular Weight (g/mol) 219.954
MDL Number MFCD07363790
SMILES B(C1=CC(=C(C=C1)OC)C(F)(F)F)(O)O
Synonym 4-methoxy-3-trifluoromethyl phenyl boronic acid,4-methoxy-3-trifluoromethylphenylboronic acid,3-trifluoromethyl-4-methoxy-phenylboronic acid,4-methoxy-3-trifluoromethylphenyl boronic acid,4-methoxy-3-trifluoromethyl benzeneboronic acid,4-methoxy-3-trifluoromethyl phenylboronic acid,boronic acid, 4-methoxy-3-trifluoromethyl phenyl,acmc-1c5ik
IUPAC Name [4-methoxy-3-(trifluoromethyl)phenyl]boronic acid
InChI Key BUSMBMGODABSIN-UHFFFAOYSA-N
Molecular Formula C8H8BF3O3
7

2,6-Bis(trifluoromethyl)benzeneboronic acid, 97%

CAS: 681812-07-7 Molecular Formula: C8H5BF6O2 Molecular Weight (g/mol): 257.926 MDL Number: MFCD04039321 InChI Key: WAMPGNNEOZGBHR-UHFFFAOYSA-N Synonym: 2,6-bis trifluoromethyl phenyl boronic acid,2,6-bis trifluoromethyl phenylboronic acid,2,6-bis trifluoromethyl benzeneboronic acid,2,6-ditrifluoromethylphenyl boronic acid,boronic acid, 2,6-bis trifluoromethyl phenyl,acmc-1b92w,ablock ab-13-3574,2,6-bis-trifluoromethyl benzeneboronic acid PubChem CID: 2783239 IUPAC Name: [2,6-bis(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C=CC=C1C(F)(F)F)C(F)(F)F)(O)O

PubChem CID 2783239
CAS 681812-07-7
Molecular Weight (g/mol) 257.926
MDL Number MFCD04039321
SMILES B(C1=C(C=CC=C1C(F)(F)F)C(F)(F)F)(O)O
Synonym 2,6-bis trifluoromethyl phenyl boronic acid,2,6-bis trifluoromethyl phenylboronic acid,2,6-bis trifluoromethyl benzeneboronic acid,2,6-ditrifluoromethylphenyl boronic acid,boronic acid, 2,6-bis trifluoromethyl phenyl,acmc-1b92w,ablock ab-13-3574,2,6-bis-trifluoromethyl benzeneboronic acid
IUPAC Name [2,6-bis(trifluoromethyl)phenyl]boronic acid
InChI Key WAMPGNNEOZGBHR-UHFFFAOYSA-N
Molecular Formula C8H5BF6O2
8

4-Chloro-3-(trifluoromethyl)benzeneboronic acid, 96%

CAS: 176976-42-4 Molecular Formula: C7H5BClF3O2 Molecular Weight (g/mol): 224.37 MDL Number: MFCD03094999 InChI Key: XHKNQBNGLMOTDB-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl phenylboronic acid,4-chloro-3-trifluoromethyl benzeneboronic acid,4-chloro-3-trifluoromethylphenylboronic acid,4-chloro-3-trifluoromethyl phenyl boronic acid,4-chloro-3-trifluoromethyl phenylboronicacid,4-chloro-3-trifluoromethylphenyl boronic acid,boronic acid, 4-chloro-3-trifluoromethyl phenyl,pubchem1796,acmc-1cg57 PubChem CID: 2782671 IUPAC Name: [4-chloro-3-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)Cl)C(F)(F)F)(O)O

PubChem CID 2782671
CAS 176976-42-4
Molecular Weight (g/mol) 224.37
MDL Number MFCD03094999
SMILES B(C1=CC(=C(C=C1)Cl)C(F)(F)F)(O)O
Synonym 4-chloro-3-trifluoromethyl phenylboronic acid,4-chloro-3-trifluoromethyl benzeneboronic acid,4-chloro-3-trifluoromethylphenylboronic acid,4-chloro-3-trifluoromethyl phenyl boronic acid,4-chloro-3-trifluoromethyl phenylboronicacid,4-chloro-3-trifluoromethylphenyl boronic acid,boronic acid, 4-chloro-3-trifluoromethyl phenyl,pubchem1796,acmc-1cg57
IUPAC Name [4-chloro-3-(trifluoromethyl)phenyl]boronic acid
InChI Key XHKNQBNGLMOTDB-UHFFFAOYSA-N
Molecular Formula C7H5BClF3O2
9

2-Fluoro-5-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 2763301
CAS 352535-96-7
Molecular Weight (g/mol) 207.919
MDL Number MFCD03701538
Color White
Physical Form Crystalline Powder
SMILES B(C1=C(C=CC(=C1)C(F)(F)F)F)(O)O
TSCA No
IUPAC Name [2-fluoro-5-(trifluoromethyl)phenyl]boronic acid
InChI Key KUHVVLFCTMTYGR-UHFFFAOYSA-N
Molecular Formula C7H5BF4O2
Formula Weight 207.92
Melting Point 109°C
10

3,5-Bis(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™

Molecular Weight (g/mol) 257.926
Color White-Yellow
Physical Form Crystalline Powder
SMILES B(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(O)O
InChI Key BPTABBGLHGBJQR-UHFFFAOYSA-N
PubChem CID 156265
CAS 73852-19-4
MDL Number MFCD00051850
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
TSCA No
IUPAC Name [3,5-bis(trifluoromethyl)phenyl]boronic acid
Molecular Formula C8H5BF6O2
Formula Weight 257.93
Melting Point 220°C
11

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

2,4-Bis(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 2782667
CAS 153254-09-2
MDL Number MFCD01631349
Color White-Yellow
Physical Form Crystalline Powder
TSCA No
IUPAC Name [2,4-bis(trifluoromethyl)phenyl]boronic acid
InChI Key WLYPBMBWKYALCG-UHFFFAOYSA-N
Molecular Formula C8H5BF6O2
Formula Weight 257.93
13

4-Methoxy-3-(trifluoromethyl)benzeneboronic acid, 98%, Thermo Scientific Chemicals

CAS: 149507-36-8 Molecular Formula: C8H8BF3O3 Molecular Weight (g/mol): 219.954 MDL Number: MFCD07363790 InChI Key: BUSMBMGODABSIN-UHFFFAOYSA-N Synonym: 4-methoxy-3-trifluoromethyl phenyl boronic acid,4-methoxy-3-trifluoromethylphenylboronic acid,3-trifluoromethyl-4-methoxy-phenylboronic acid,4-methoxy-3-trifluoromethylphenyl boronic acid,4-methoxy-3-trifluoromethyl benzeneboronic acid,4-methoxy-3-trifluoromethyl phenylboronic acid,boronic acid, 4-methoxy-3-trifluoromethyl phenyl,acmc-1c5ik PubChem CID: 17750052 IUPAC Name: [4-methoxy-3-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)OC)C(F)(F)F)(O)O

PubChem CID 17750052
CAS 149507-36-8
Molecular Weight (g/mol) 219.954
MDL Number MFCD07363790
SMILES B(C1=CC(=C(C=C1)OC)C(F)(F)F)(O)O
Synonym 4-methoxy-3-trifluoromethyl phenyl boronic acid,4-methoxy-3-trifluoromethylphenylboronic acid,3-trifluoromethyl-4-methoxy-phenylboronic acid,4-methoxy-3-trifluoromethylphenyl boronic acid,4-methoxy-3-trifluoromethyl benzeneboronic acid,4-methoxy-3-trifluoromethyl phenylboronic acid,boronic acid, 4-methoxy-3-trifluoromethyl phenyl,acmc-1c5ik
IUPAC Name [4-methoxy-3-(trifluoromethyl)phenyl]boronic acid
InChI Key BUSMBMGODABSIN-UHFFFAOYSA-N
Molecular Formula C8H8BF3O3
14

4-Fluoro-2-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 12109469
CAS 182344-16-7
MDL Number MFCD08062379
Color White
Physical Form Crystalline Powder
TSCA No
IUPAC Name [4-fluoro-2-(trifluoromethyl)phenyl]boronic acid
InChI Key SWUPLEAGZOKLNX-UHFFFAOYSA-N
Molecular Formula C7H5BF4O2
Formula Weight 207.92
Melting Point 186°C
15

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

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