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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

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
2

4-Nitrophenylboronic acid, 97%

CAS: 24067-17-2 Molecular Formula: C6H6BNO4 Molecular Weight (g/mol): 166.93 MDL Number: MFCD00161360 InChI Key: NSFJAFZHYOAMHL-UHFFFAOYSA-N Synonym: 4-nitrophenyl boronic acid,4-nitrobenzeneboronic acid,p-nitrophenylboronic acid,4-nitrophenylboronicacid,p-nitrophenyl boronic acid,4-nitro phenyl boronic acid,boronic acid, 4-nitrophenyl,boronic acid, b-4-nitrophenyl,4-borononitrobenzene PubChem CID: 2773552 IUPAC Name: (4-nitrophenyl)boronic acid SMILES: OB(O)C1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 2773552
CAS 24067-17-2
Molecular Weight (g/mol) 166.93
MDL Number MFCD00161360
SMILES OB(O)C1=CC=C(C=C1)[N+]([O-])=O
Synonym 4-nitrophenyl boronic acid,4-nitrobenzeneboronic acid,p-nitrophenylboronic acid,4-nitrophenylboronicacid,p-nitrophenyl boronic acid,4-nitro phenyl boronic acid,boronic acid, 4-nitrophenyl,boronic acid, b-4-nitrophenyl,4-borononitrobenzene
IUPAC Name (4-nitrophenyl)boronic acid
InChI Key NSFJAFZHYOAMHL-UHFFFAOYSA-N
Molecular Formula C6H6BNO4
3

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
4

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
5

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
8

Dibenzothiophene-4-boronic acid, 95%

CAS: 108847-20-7 Molecular Formula: C12H9BO2S Molecular Weight (g/mol): 228.07 MDL Number: MFCD01318182 InChI Key: GOXNHPQCCUVWRO-UHFFFAOYSA-N Synonym: dibenzothiophene-4-boronic acid,4-dibenzothiopheneboronic acid,dibenzo b,d thiophen-4-ylboronic acid,4-dibenzothienylboronic acid,dibenzo b,d thiophene-4-boronic acid,boronic acid, 4-dibenzothienyl,8-thiatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaen-6-ylboronic acid,pubchem7386,4-dibenzothiopheneboronicacid PubChem CID: 2734329 SMILES: OB(O)C1=CC=CC2=C1SC1=C2C=CC=C1

PubChem CID 2734329
CAS 108847-20-7
Molecular Weight (g/mol) 228.07
MDL Number MFCD01318182
SMILES OB(O)C1=CC=CC2=C1SC1=C2C=CC=C1
Synonym dibenzothiophene-4-boronic acid,4-dibenzothiopheneboronic acid,dibenzo b,d thiophen-4-ylboronic acid,4-dibenzothienylboronic acid,dibenzo b,d thiophene-4-boronic acid,boronic acid, 4-dibenzothienyl,8-thiatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaen-6-ylboronic acid,pubchem7386,4-dibenzothiopheneboronicacid
InChI Key GOXNHPQCCUVWRO-UHFFFAOYSA-N
Molecular Formula C12H9BO2S
9

Benzo[b]furan-2-boronic acid, 97%

CAS: 98437-24-2 Molecular Formula: C8H7BO3 Molecular Weight (g/mol): 161.95 MDL Number: MFCD00236019 InChI Key: PKRRNTJIHGOMRC-UHFFFAOYSA-N Synonym: benzofuran-2-boronic acid,benzo b furan-2-boronic acid,benzofuran-2-ylboronic acid,2-benzofuranboronic acid,2-benzofuranylboronic acid,2,3-benzo b furan-2-boronic acid,2-boronobenzo b furan,1-benzofuran-2-yl boronic acid,1-benzofuran-2-boronic acid PubChem CID: 2776266 IUPAC Name: 1-benzofuran-2-ylboronic acid SMILES: OB(O)C1=CC2=CC=CC=C2O1

PubChem CID 2776266
CAS 98437-24-2
Molecular Weight (g/mol) 161.95
MDL Number MFCD00236019
SMILES OB(O)C1=CC2=CC=CC=C2O1
Synonym benzofuran-2-boronic acid,benzo b furan-2-boronic acid,benzofuran-2-ylboronic acid,2-benzofuranboronic acid,2-benzofuranylboronic acid,2,3-benzo b furan-2-boronic acid,2-boronobenzo b furan,1-benzofuran-2-yl boronic acid,1-benzofuran-2-boronic acid
IUPAC Name 1-benzofuran-2-ylboronic acid
InChI Key PKRRNTJIHGOMRC-UHFFFAOYSA-N
Molecular Formula C8H7BO3
10

5-Chloropyridine-3-boronic acid, 95%

CAS: 872041-85-5 Molecular Formula: C5H5BClNO2 Molecular Weight (g/mol): 157.36 MDL Number: MFCD06798243 InChI Key: NJXYBTMCTZAUEE-UHFFFAOYSA-N Synonym: 5-chloropyridine-3-boronic acid,5-chloropyridin-3-yl boronic acid,5-chloro-3-pyridineboronic acid,3-chloropyridine-5-boronic acid,5-chloro-3-pyridinyl boronic acid,5-chloro-3-pyridyl boronic acid,5-chloropyridin-3-yl-3-boronic acid,3-chloro-5-pyridyl boronic acid,5-chloro-3-pyridineboronicacid,pubchem17397 PubChem CID: 20111877 IUPAC Name: (5-chloropyridin-3-yl)boronic acid SMILES: OB(O)C1=CC(Cl)=CN=C1

PubChem CID 20111877
CAS 872041-85-5
Molecular Weight (g/mol) 157.36
MDL Number MFCD06798243
SMILES OB(O)C1=CC(Cl)=CN=C1
Synonym 5-chloropyridine-3-boronic acid,5-chloropyridin-3-yl boronic acid,5-chloro-3-pyridineboronic acid,3-chloropyridine-5-boronic acid,5-chloro-3-pyridinyl boronic acid,5-chloro-3-pyridyl boronic acid,5-chloropyridin-3-yl-3-boronic acid,3-chloro-5-pyridyl boronic acid,5-chloro-3-pyridineboronicacid,pubchem17397
IUPAC Name (5-chloropyridin-3-yl)boronic acid
InChI Key NJXYBTMCTZAUEE-UHFFFAOYSA-N
Molecular Formula C5H5BClNO2
11

3-Aminophenylboronic acid hydrochloride, 98%

CAS: 85006-23-1 Molecular Formula: C6H9BClNO2 Molecular Weight (g/mol): 173.40 MDL Number: MFCD00191748 InChI Key: QBMHZZHJIBUPOX-UHFFFAOYSA-N Synonym: 3-aminophenyl boronic acid hydrochloride,3-aminophenylboronic acid hydrochloride,3-aminophenylboronic acid hcl,m-aminophenylboronic acid hydrochloride,3-aminophenylboronic acid, hcl,3-aminobenzeneboronic acid hydrochloride,boronic acid, 3-aminophenyl-, hydrochloride,pubchem1751,pubchem20396,timtec-bb sbb003816 PubChem CID: 2763241 IUPAC Name: (3-aminophenyl)boronic acid;hydrochloride SMILES: Cl.NC1=CC=CC(=C1)B(O)O

PubChem CID 2763241
CAS 85006-23-1
Molecular Weight (g/mol) 173.40
MDL Number MFCD00191748
SMILES Cl.NC1=CC=CC(=C1)B(O)O
Synonym 3-aminophenyl boronic acid hydrochloride,3-aminophenylboronic acid hydrochloride,3-aminophenylboronic acid hcl,m-aminophenylboronic acid hydrochloride,3-aminophenylboronic acid, hcl,3-aminobenzeneboronic acid hydrochloride,boronic acid, 3-aminophenyl-, hydrochloride,pubchem1751,pubchem20396,timtec-bb sbb003816
IUPAC Name (3-aminophenyl)boronic acid;hydrochloride
InChI Key QBMHZZHJIBUPOX-UHFFFAOYSA-N
Molecular Formula C6H9BClNO2
12

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
13

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
14

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
15

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