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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-Fluoro-3-(tetrazol-5-yl)phenylboronic acid, 95%, Thermo Scientific™

CAS: 1009303-56-3 Molecular Formula: C7H6BFN4O2 Molecular Weight (g/mol): 207.96 MDL Number: MFCD13176533 InChI Key: FELFJHZMQYCKPT-UHFFFAOYSA-N Synonym: 4-fluoro-3-tetrazol-5-yl phenylboronic acid,4-fluoro-3-1h-1,2,3,4-tetrazol-5-yl phenylboronic acid,4-fluoro-3-1h-tetrazol-5-yl phenyl boronic acid,4-fluoro-3-1h-tetrazol-5-yl phenylboronic acid PubChem CID: 11287236 IUPAC Name: [4-fluoro-3-(2H-tetrazol-5-yl)phenyl]boronic acid SMILES: OB(O)C1=CC(C2=NNN=N2)=C(F)C=C1

PubChem CID 11287236
CAS 1009303-56-3
Molecular Weight (g/mol) 207.96
MDL Number MFCD13176533
SMILES OB(O)C1=CC(C2=NNN=N2)=C(F)C=C1
Synonym 4-fluoro-3-tetrazol-5-yl phenylboronic acid,4-fluoro-3-1h-1,2,3,4-tetrazol-5-yl phenylboronic acid,4-fluoro-3-1h-tetrazol-5-yl phenyl boronic acid,4-fluoro-3-1h-tetrazol-5-yl phenylboronic acid
IUPAC Name [4-fluoro-3-(2H-tetrazol-5-yl)phenyl]boronic acid
InChI Key FELFJHZMQYCKPT-UHFFFAOYSA-N
Molecular Formula C7H6BFN4O2
2

5-Pyrimidinylboronic acid, 97%, may contain varying amounts of anhydride, Thermo Scientific Chemicals

CAS: 109299-78-7 Molecular Formula: C4H5BN2O2 Molecular Weight (g/mol): 123.91 MDL Number: MFCD03002366 InChI Key: HZFPPBMKGYINDF-UHFFFAOYSA-N Synonym: 5-pyrimidinylboronic acid,pyrimidine-5-boronic acid,5-pyrimidineboronic acid,5-pyrimidylboronic acid,pyrimidin-5-yl boronic acid,5-pyrimidine boronic acid,pyrimidinyl-5-boronic acid,pyrimidine-5-ylboronic acid,pyrimidin-5-yl-5-boronic acid,pyrimidin-5-boronic acid PubChem CID: 2795193 IUPAC Name: pyrimidin-5-ylboronic acid SMILES: OB(O)C1=CN=CN=C1

PubChem CID 2795193
CAS 109299-78-7
Molecular Weight (g/mol) 123.91
MDL Number MFCD03002366
SMILES OB(O)C1=CN=CN=C1
Synonym 5-pyrimidinylboronic acid,pyrimidine-5-boronic acid,5-pyrimidineboronic acid,5-pyrimidylboronic acid,pyrimidin-5-yl boronic acid,5-pyrimidine boronic acid,pyrimidinyl-5-boronic acid,pyrimidine-5-ylboronic acid,pyrimidin-5-yl-5-boronic acid,pyrimidin-5-boronic acid
IUPAC Name pyrimidin-5-ylboronic acid
InChI Key HZFPPBMKGYINDF-UHFFFAOYSA-N
Molecular Formula C4H5BN2O2
3

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
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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

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
5

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
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
7

4-Cyanophenylboronic acid, 97%

CAS: 126747-14-6 Molecular Formula: C7H6BNO2 Molecular Weight (g/mol): 146.94 MDL Number: MFCD01318968 InChI Key: CEBAHYWORUOILU-UHFFFAOYSA-N Synonym: 4-cyanophenyl boronic acid,4-cyanobenzeneboronic acid,4-dihydroxyboranyl benzonitrile,4-cyano-phenyl-boronic acid,4-boronobenzonitrile,p-cyanophenylboronic acid,4-cyanobenzene boronic acid,boronic acid, 4-cyanophenyl,4-cyano-phenyl boronic acid PubChem CID: 2734326 IUPAC Name: (4-cyanophenyl)boronic acid SMILES: OB(O)C1=CC=C(C=C1)C#N

PubChem CID 2734326
CAS 126747-14-6
Molecular Weight (g/mol) 146.94
MDL Number MFCD01318968
SMILES OB(O)C1=CC=C(C=C1)C#N
Synonym 4-cyanophenyl boronic acid,4-cyanobenzeneboronic acid,4-dihydroxyboranyl benzonitrile,4-cyano-phenyl-boronic acid,4-boronobenzonitrile,p-cyanophenylboronic acid,4-cyanobenzene boronic acid,boronic acid, 4-cyanophenyl,4-cyano-phenyl boronic acid
IUPAC Name (4-cyanophenyl)boronic acid
InChI Key CEBAHYWORUOILU-UHFFFAOYSA-N
Molecular Formula C7H6BNO2
8

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
9

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
11

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
13

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
14

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
15

5-Indolylboronic acid, 97%

CAS: 144104-59-6 Molecular Formula: C8H8BNO2 Molecular Weight (g/mol): 160.97 MDL Number: MFCD01319013 InChI Key: VHADYSUJZAPXOW-UHFFFAOYSA-N Synonym: 5-indolylboronic acid,indole-5-boronic acid,1h-indol-5-yl boronic acid,1h-indole-5-boronic acid,5-indolboronic acid,5-indolyl boronic acid,5-indole-boronic acid,1h-indol-5-ylboranediol,5-indole boric acid,5-indoleboronic acid PubChem CID: 2734361 IUPAC Name: 1H-indol-5-ylboronic acid SMILES: OB(O)C1=CC=C2NC=CC2=C1

PubChem CID 2734361
CAS 144104-59-6
Molecular Weight (g/mol) 160.97
MDL Number MFCD01319013
SMILES OB(O)C1=CC=C2NC=CC2=C1
Synonym 5-indolylboronic acid,indole-5-boronic acid,1h-indol-5-yl boronic acid,1h-indole-5-boronic acid,5-indolboronic acid,5-indolyl boronic acid,5-indole-boronic acid,1h-indol-5-ylboranediol,5-indole boric acid,5-indoleboronic acid
IUPAC Name 1H-indol-5-ylboronic acid
InChI Key VHADYSUJZAPXOW-UHFFFAOYSA-N
Molecular Formula C8H8BNO2