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Boronic acid derivatives

Organic compounds that are derived from boronic acid; boronic acid is an oxyacid of boron with the following structure: H2BOH.
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1

Phenylboronic acid, 98+%, may contain varying amounts of anhydride

CAS: 98-80-6 Molecular Formula: C6H7BO2 Molecular Weight (g/mol): 121.93 MDL Number: MFCD00002103 InChI Key: HXITXNWTGFUOAU-UHFFFAOYSA-N Synonym: benzeneboronic acid,boronic acid, phenyl,phenyl boronic acid,phenylboric acid,dihydroxyphenylborane,phenyldihydroxyborane,dihydroxy phenyl borane,phenylboronicacid,borophenylic acid,usaf bo-2 PubChem CID: 66827 ChEBI: CHEBI:44923 IUPAC Name: phenylboronic acid SMILES: OB(O)C1=CC=CC=C1

EDGE
PubChem CID 66827
CAS 98-80-6
Molecular Weight (g/mol) 121.93
ChEBI CHEBI:44923
MDL Number MFCD00002103
SMILES OB(O)C1=CC=CC=C1
Synonym benzeneboronic acid,boronic acid, phenyl,phenyl boronic acid,phenylboric acid,dihydroxyphenylborane,phenyldihydroxyborane,dihydroxy phenyl borane,phenylboronicacid,borophenylic acid,usaf bo-2
IUPAC Name phenylboronic acid
InChI Key HXITXNWTGFUOAU-UHFFFAOYSA-N
Molecular Formula C6H7BO2
2

4-(Cyanomethoxy)phenylboronic acid, 97%, Thermo Scientific Chemicals

CAS: 947533-23-5 Molecular Formula: C8H8BNO3 Molecular Weight (g/mol): 176.97 MDL Number: MFCD09908170 InChI Key: GKJPNYHKHSLHCC-UHFFFAOYSA-N Synonym: 4-cyanomethoxyphenylboronic acid,4-cyanomethoxy phenyl boronic acid,4-cyanomethoxy phenylboronic acid,acmc-209rtj PubChem CID: 21918429 IUPAC Name: [4-(cyanomethoxy)phenyl]boronic acid SMILES: OB(O)C1=CC=C(OCC#N)C=C1

PubChem CID 21918429
CAS 947533-23-5
Molecular Weight (g/mol) 176.97
MDL Number MFCD09908170
SMILES OB(O)C1=CC=C(OCC#N)C=C1
Synonym 4-cyanomethoxyphenylboronic acid,4-cyanomethoxy phenyl boronic acid,4-cyanomethoxy phenylboronic acid,acmc-209rtj
IUPAC Name [4-(cyanomethoxy)phenyl]boronic acid
InChI Key GKJPNYHKHSLHCC-UHFFFAOYSA-N
Molecular Formula C8H8BNO3
4

4,4,5,5-Tetramethyl-2-(2-methyl-3-furyl)-1,3,2-dioxaborolane, 90%, Thermo Scientific™

CAS: 864776-02-3 Molecular Formula: C11H17BO3 Molecular Weight (g/mol): 208.06 MDL Number: MFCD09879905 InChI Key: JMLBPHNESOKSEV-UHFFFAOYSA-N Synonym: 4,4,5,5-tetramethyl-2-2-methylfuran-3-yl-1,3,2-dioxaborolane,2-methylfuran-3-boronic acid, pinacol ester,4,4,5,5-tetramethyl-2-2-methyl-3-furanyl-1,3,2-dioxaborolane,1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-2-methyl-3-furanyl,4,4,5,5-tetramethyl-2-2-methyl-3-furyl-1,3,2-dioxaborolane,pubchem18438,2-2-methylfur-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-methyl-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl furan,4,4,5,5-tetramethyl-2-2-methyl 3-furyl-1,3,2-dioxaborolane,3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 2-methylfuran-3-yl boronate PubChem CID: 24229547 IUPAC Name: 4,4,5,5-tetramethyl-2-(2-methylfuran-3-yl)-1,3,2-dioxaborolane SMILES: CC1=C(C=CO1)B1OC(C)(C)C(C)(C)O1

PubChem CID 24229547
CAS 864776-02-3
Molecular Weight (g/mol) 208.06
MDL Number MFCD09879905
SMILES CC1=C(C=CO1)B1OC(C)(C)C(C)(C)O1
Synonym 4,4,5,5-tetramethyl-2-2-methylfuran-3-yl-1,3,2-dioxaborolane,2-methylfuran-3-boronic acid, pinacol ester,4,4,5,5-tetramethyl-2-2-methyl-3-furanyl-1,3,2-dioxaborolane,1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-2-methyl-3-furanyl,4,4,5,5-tetramethyl-2-2-methyl-3-furyl-1,3,2-dioxaborolane,pubchem18438,2-2-methylfur-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-methyl-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl furan,4,4,5,5-tetramethyl-2-2-methyl 3-furyl-1,3,2-dioxaborolane,3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 2-methylfuran-3-yl boronate
IUPAC Name 4,4,5,5-tetramethyl-2-(2-methylfuran-3-yl)-1,3,2-dioxaborolane
InChI Key JMLBPHNESOKSEV-UHFFFAOYSA-N
Molecular Formula C11H17BO3
6

3,4-Dichlorophenylboronic acid, 97%

CAS: 151169-75-4 Molecular Formula: C6H5BCl2O2 Molecular Weight (g/mol): 190.81 MDL Number: MFCD01074646 InChI Key: JKIGHOARKAIPJI-UHFFFAOYSA-N Synonym: 3,4-dichlorophenyl boronic acid,3,4-dichlorobenzeneboronic acid,3,4-dichlorophenylboronicacid,3,4-dichlorophenyl boranediol,3,4-dichlorophenylbornic acid,chembl20776,3,4-dichloro benzene boronic acid,boronic acid, 3,4-dichlorophenyl,pubchem1812 PubChem CID: 2734330 IUPAC Name: (3,4-dichlorophenyl)boronic acid SMILES: OB(O)C1=CC=C(Cl)C(Cl)=C1

PubChem CID 2734330
CAS 151169-75-4
Molecular Weight (g/mol) 190.81
MDL Number MFCD01074646
SMILES OB(O)C1=CC=C(Cl)C(Cl)=C1
Synonym 3,4-dichlorophenyl boronic acid,3,4-dichlorobenzeneboronic acid,3,4-dichlorophenylboronicacid,3,4-dichlorophenyl boranediol,3,4-dichlorophenylbornic acid,chembl20776,3,4-dichloro benzene boronic acid,boronic acid, 3,4-dichlorophenyl,pubchem1812
IUPAC Name (3,4-dichlorophenyl)boronic acid
InChI Key JKIGHOARKAIPJI-UHFFFAOYSA-N
Molecular Formula C6H5BCl2O2
8

2-Methoxycarbonylphenylboronic acid, 97%

CAS: 374538-03-1 Molecular Formula: C8H9BO4 Molecular Weight (g/mol): 179.97 MDL Number: MFCD02179452 InChI Key: ODAXNYMENLFYMY-UHFFFAOYSA-N Synonym: 2-methoxycarbonyl phenylboronic acid,2-methoxycarbonyl benzeneboronic acid,2-methoxycarbonyl phenyl boronic acid,2-methoxycarbonylphenyl boronic acid,methyl 2-boronobenzoate,methyl 2-dihydroxyboranyl benzoate,o-methoxycarbonyl phenylboronic acid,2-carbomethoxybenzeneboronic acid,2-methoxycarbonylphenylboronicacid PubChem CID: 2773496 SMILES: COC(=O)C1=CC=CC=C1B(O)O

PubChem CID 2773496
CAS 374538-03-1
Molecular Weight (g/mol) 179.97
MDL Number MFCD02179452
SMILES COC(=O)C1=CC=CC=C1B(O)O
Synonym 2-methoxycarbonyl phenylboronic acid,2-methoxycarbonyl benzeneboronic acid,2-methoxycarbonyl phenyl boronic acid,2-methoxycarbonylphenyl boronic acid,methyl 2-boronobenzoate,methyl 2-dihydroxyboranyl benzoate,o-methoxycarbonyl phenylboronic acid,2-carbomethoxybenzeneboronic acid,2-methoxycarbonylphenylboronicacid
InChI Key ODAXNYMENLFYMY-UHFFFAOYSA-N
Molecular Formula C8H9BO4
9

2-Fluoro-4-methoxyphenylboronic acid, 97%, Thermo Scientific™

CAS: 162101-31-7 Molecular Formula: C7H8BFO3 Molecular Weight (g/mol): 169.95 MDL Number: MFCD04039323 InChI Key: ULUIXJDBPYBAHS-UHFFFAOYSA-N Synonym: 2-fluoro-4-methoxybenzeneboronic acid,2-fluoro-4-methoxyphenyl boronic acid,4-borono-3-fluoroanisole,boronic acid, 2-fluoro-4-methoxyphenyl,boronic acid, b-2-fluoro-4-methoxyphenyl,2-fluoro-4-methoxyphenylboronicacid,pubchem15367,acmc-209dnv,ksc498a9p,2-fluoro-4methoxyphenylboronic acid PubChem CID: 15789384 IUPAC Name: (2-fluoro-4-methoxyphenyl)boronic acid SMILES: COC1=CC=C(B(O)O)C(F)=C1

PubChem CID 15789384
CAS 162101-31-7
Molecular Weight (g/mol) 169.95
MDL Number MFCD04039323
SMILES COC1=CC=C(B(O)O)C(F)=C1
Synonym 2-fluoro-4-methoxybenzeneboronic acid,2-fluoro-4-methoxyphenyl boronic acid,4-borono-3-fluoroanisole,boronic acid, 2-fluoro-4-methoxyphenyl,boronic acid, b-2-fluoro-4-methoxyphenyl,2-fluoro-4-methoxyphenylboronicacid,pubchem15367,acmc-209dnv,ksc498a9p,2-fluoro-4methoxyphenylboronic acid
IUPAC Name (2-fluoro-4-methoxyphenyl)boronic acid
InChI Key ULUIXJDBPYBAHS-UHFFFAOYSA-N
Molecular Formula C7H8BFO3
10

4-(Phenoxymethyl)phenylboronic acid, 97%, Thermo Scientific™

CAS: 397843-61-7 Molecular Formula: C13H13BO3 Molecular Weight (g/mol): 228.05 MDL Number: MFCD09966155 InChI Key: IXDHTLPOOZIZJX-UHFFFAOYSA-N Synonym: 4-phenoxymethyl phenylboronic acid,4-phenoxymethyl phenyl boronic acid,acmc-1aegd,4-phenoxymethyl phenyl boronicacid PubChem CID: 10955308 IUPAC Name: [4-(phenoxymethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=C(COC2=CC=CC=C2)C=C1

PubChem CID 10955308
CAS 397843-61-7
Molecular Weight (g/mol) 228.05
MDL Number MFCD09966155
SMILES OB(O)C1=CC=C(COC2=CC=CC=C2)C=C1
Synonym 4-phenoxymethyl phenylboronic acid,4-phenoxymethyl phenyl boronic acid,acmc-1aegd,4-phenoxymethyl phenyl boronicacid
IUPAC Name [4-(phenoxymethyl)phenyl]boronic acid
InChI Key IXDHTLPOOZIZJX-UHFFFAOYSA-N
Molecular Formula C13H13BO3
11

3-Nitrophenylboronic acid, 97%

CAS: 13331-27-6 Molecular Formula: C6H6BNO4 Molecular Weight (g/mol): 166.93 MDL Number: MFCD00007193 InChI Key: ZNRGSYUVFVNSAW-UHFFFAOYSA-N Synonym: 3-nitrophenyl boronic acid,3-nitrobenzeneboronic acid,m-nitrophenylboronic acid,boronic acid, 3-nitrophenyl,m-nitrobenzeneboronic acid,benzeneboronic acid, m-nitro,nitrophenylboronic acid,m-nitophenyl boronic acid,3-nitrophenyl boranediol PubChem CID: 1677 IUPAC Name: (3-nitrophenyl)boronic acid SMILES: OB(O)C1=CC=CC(=C1)[N+]([O-])=O

PubChem CID 1677
CAS 13331-27-6
Molecular Weight (g/mol) 166.93
MDL Number MFCD00007193
SMILES OB(O)C1=CC=CC(=C1)[N+]([O-])=O
Synonym 3-nitrophenyl boronic acid,3-nitrobenzeneboronic acid,m-nitrophenylboronic acid,boronic acid, 3-nitrophenyl,m-nitrobenzeneboronic acid,benzeneboronic acid, m-nitro,nitrophenylboronic acid,m-nitophenyl boronic acid,3-nitrophenyl boranediol
IUPAC Name (3-nitrophenyl)boronic acid
InChI Key ZNRGSYUVFVNSAW-UHFFFAOYSA-N
Molecular Formula C6H6BNO4
12

4-Biphenylboronic acid, 97%

CAS: 5122-94-1 Molecular Formula: C12H11BO2 Molecular Weight (g/mol): 198.03 MDL Number: MFCD00093311 InChI Key: XPEIJWZLPWNNOK-UHFFFAOYSA-N Synonym: 4-biphenylboronic acid,1,1'-biphenyl-4-ylboronic acid,biphenyl-4-boronic acid,4-biphenyl boronic acid,biphenylboronic acid,4-phenylphenyl boranediol,4-phenylphenyl boronic acid,biphenyl-4-ylboronic acid,1,1'-biphenyl-4-yl-boronic acid,4-phenylbenzeneboronic acid PubChem CID: 151253 IUPAC Name: (4-phenylphenyl)boronic acid SMILES: OB(O)C1=CC=C(C=C1)C1=CC=CC=C1

PubChem CID 151253
CAS 5122-94-1
Molecular Weight (g/mol) 198.03
MDL Number MFCD00093311
SMILES OB(O)C1=CC=C(C=C1)C1=CC=CC=C1
Synonym 4-biphenylboronic acid,1,1'-biphenyl-4-ylboronic acid,biphenyl-4-boronic acid,4-biphenyl boronic acid,biphenylboronic acid,4-phenylphenyl boranediol,4-phenylphenyl boronic acid,biphenyl-4-ylboronic acid,1,1'-biphenyl-4-yl-boronic acid,4-phenylbenzeneboronic acid
IUPAC Name (4-phenylphenyl)boronic acid
InChI Key XPEIJWZLPWNNOK-UHFFFAOYSA-N
Molecular Formula C12H11BO2
13

4-(Tetrazol-5-yl)phenylboronic acid, 97%

CAS: 179942-55-3 Molecular Formula: C7H7BN4O2 Molecular Weight (g/mol): 189.97 MDL Number: MFCD06739099 MFCD11044435 InChI Key: DXUPJOQUAAVAGV-UHFFFAOYSA-N Synonym: 4-2h-tetrazol-5-yl phenyl boronic acid,4-2h-tetrazol-5-yl phenylboronic acid,4-tetrazol-5-yl phenylboronic acid,4-2h-tetrazol-5-yl-phenylboronic acid,4-1h-tetrazol-5-yl-phenylboronic acid,4-2h-1,2,3,4-tetrazol-5-yl phenyl boronic acid,4-1h-1,2,3,4-tetrazol-5-yl phenylboronic acid,4-2h-1,2,3,4-tetrazol-5-yl phenylboronic acid,4-1htetrazol-5-yl phenylboronic acid PubChem CID: 46737995 IUPAC Name: [4-(2H-tetrazol-5-yl)phenyl]boronic acid SMILES: OB(O)C1=CC=C(C=C1)C1=NNN=N1

PubChem CID 46737995
CAS 179942-55-3
Molecular Weight (g/mol) 189.97
MDL Number MFCD06739099 MFCD11044435
SMILES OB(O)C1=CC=C(C=C1)C1=NNN=N1
Synonym 4-2h-tetrazol-5-yl phenyl boronic acid,4-2h-tetrazol-5-yl phenylboronic acid,4-tetrazol-5-yl phenylboronic acid,4-2h-tetrazol-5-yl-phenylboronic acid,4-1h-tetrazol-5-yl-phenylboronic acid,4-2h-1,2,3,4-tetrazol-5-yl phenyl boronic acid,4-1h-1,2,3,4-tetrazol-5-yl phenylboronic acid,4-2h-1,2,3,4-tetrazol-5-yl phenylboronic acid,4-1htetrazol-5-yl phenylboronic acid
IUPAC Name [4-(2H-tetrazol-5-yl)phenyl]boronic acid
InChI Key DXUPJOQUAAVAGV-UHFFFAOYSA-N
Molecular Formula C7H7BN4O2
14

4-Cyano-3-fluorophenylboronic acid, 97%

CAS: 843663-18-3 Molecular Formula: C7H5BFNO2 Molecular Weight (g/mol): 164.93 MDL Number: MFCD03411549 InChI Key: DECWLXUOZUMPBF-UHFFFAOYSA-N Synonym: 4-cyano-3-fluorobenzeneboronic acid,4-cyano-3-fluorophenyl boronic acid,4-borono-2-fluorobenzonitrile,4-cyano-3-fluoro-phenyl boronic acid,4-cyano-3-fluoro phenyl boronic acid,3-fluoro-4-cyanophenylboronic acid,boronic acid, 4-cyano-3-fluorophenyl,4-cyano-3-fluorophenylboronicacid,pubchem1801,acmc-209pug PubChem CID: 2783130 IUPAC Name: (4-cyano-3-fluorophenyl)boronic acid SMILES: OB(O)C1=CC(F)=C(C=C1)C#N

PubChem CID 2783130
CAS 843663-18-3
Molecular Weight (g/mol) 164.93
MDL Number MFCD03411549
SMILES OB(O)C1=CC(F)=C(C=C1)C#N
Synonym 4-cyano-3-fluorobenzeneboronic acid,4-cyano-3-fluorophenyl boronic acid,4-borono-2-fluorobenzonitrile,4-cyano-3-fluoro-phenyl boronic acid,4-cyano-3-fluoro phenyl boronic acid,3-fluoro-4-cyanophenylboronic acid,boronic acid, 4-cyano-3-fluorophenyl,4-cyano-3-fluorophenylboronicacid,pubchem1801,acmc-209pug
IUPAC Name (4-cyano-3-fluorophenyl)boronic acid
InChI Key DECWLXUOZUMPBF-UHFFFAOYSA-N
Molecular Formula C7H5BFNO2
15

(5-Trifluoromethylpyridin-3-yl)boronic acid, 95%

CAS: 947533-51-9 Molecular Formula: C6H5BF3NO2 Molecular Weight (g/mol): 190.92 MDL Number: MFCD09952041 InChI Key: SFBQNNGMEKUJAN-UHFFFAOYSA-N Synonym: 5-trifluoromethyl-pyridine-3-boronic acid,5-trifluoromethyl pyridin-3-yl boronic acid,3-trifluoromethylpyridine-5-boronic acid,3-trifluoromethyl-5-pyridyl boronic acid,5-trifluoromethyl pyridine-3-boronic acid,5-trifluoromethyl pyridin-3-ylboronic acid,5-trifluoromethylpyridine-3-boronic acid,5-trifluoromethyl-3-pyridyl boronic acid,3-borono-5-trifluoromethyl pyridine PubChem CID: 45158900 IUPAC Name: [5-(trifluoromethyl)pyridin-3-yl]boronic acid SMILES: OB(O)C1=CC(=CN=C1)C(F)(F)F

PubChem CID 45158900
CAS 947533-51-9
Molecular Weight (g/mol) 190.92
MDL Number MFCD09952041
SMILES OB(O)C1=CC(=CN=C1)C(F)(F)F
Synonym 5-trifluoromethyl-pyridine-3-boronic acid,5-trifluoromethyl pyridin-3-yl boronic acid,3-trifluoromethylpyridine-5-boronic acid,3-trifluoromethyl-5-pyridyl boronic acid,5-trifluoromethyl pyridine-3-boronic acid,5-trifluoromethyl pyridin-3-ylboronic acid,5-trifluoromethylpyridine-3-boronic acid,5-trifluoromethyl-3-pyridyl boronic acid,3-borono-5-trifluoromethyl pyridine
IUPAC Name [5-(trifluoromethyl)pyridin-3-yl]boronic acid
InChI Key SFBQNNGMEKUJAN-UHFFFAOYSA-N
Molecular Formula C6H5BF3NO2