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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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

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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

Pyridine-3-boronic acid

CAS: 1692-25-7 Molecular Formula: C5H6BNO2 Molecular Weight (g/mol): 122.92 MDL Number: MFCD00674177 InChI Key: ABMYEXAYWZJVOV-UHFFFAOYSA-N Synonym: pyridine-3-boronic acid,3-pyridylboronic acid,3-pyridineboronic acid,pyridin-3-yl boronic acid,3-pyridinylboronic acid,pyridin-3-yl-3-boronic acid,3-pyridineboric acid,3-pyridinebornic acid,pyridyl-3-boronic acid,pyridine 3-boronic acid PubChem CID: 2734378 IUPAC Name: pyridin-3-ylboronic acid SMILES: OB(O)C1=CC=CN=C1

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PubChem CID	2734378
CAS	1692-25-7
Molecular Weight (g/mol)	122.92
MDL Number	MFCD00674177
SMILES	OB(O)C1=CC=CN=C1
Synonym	pyridine-3-boronic acid,3-pyridylboronic acid,3-pyridineboronic acid,pyridin-3-yl boronic acid,3-pyridinylboronic acid,pyridin-3-yl-3-boronic acid,3-pyridineboric acid,3-pyridinebornic acid,pyridyl-3-boronic acid,pyridine 3-boronic acid
IUPAC Name	pyridin-3-ylboronic acid
InChI Key	ABMYEXAYWZJVOV-UHFFFAOYSA-N
Molecular Formula	C5H6BNO2

1-Butylboronic acid, 98%

CAS: 4426-47-5 Molecular Formula: C4H11BO2 Molecular Weight (g/mol): 101.94 MDL Number: MFCD00002106 InChI Key: QPKFVRWIISEVCW-UHFFFAOYSA-N Synonym: n-butylboronic acid,1-butylboronic acid,1-butaneboronic acid,n-butaneboronic acid,boronic acid, butyl,1-butane boronic acid,butylboric acid,butyl boronic acid,chembl31962,1-butyldihydroxyborane PubChem CID: 20479 IUPAC Name: butylboronic acid SMILES: CCCCB(O)O

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PubChem CID	20479
CAS	4426-47-5
Molecular Weight (g/mol)	101.94
MDL Number	MFCD00002106
SMILES	CCCCB(O)O
Synonym	n-butylboronic acid,1-butylboronic acid,1-butaneboronic acid,n-butaneboronic acid,boronic acid, butyl,1-butane boronic acid,butylboric acid,butyl boronic acid,chembl31962,1-butyldihydroxyborane
IUPAC Name	butylboronic acid
InChI Key	QPKFVRWIISEVCW-UHFFFAOYSA-N
Molecular Formula	C4H11BO2

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

4-Cyanobenzeneboronic acid, 98%

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

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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

4-Isopropoxybenzeneboronic acid, 97%

CAS: 153624-46-5 Molecular Formula: C9H13BO3 Molecular Weight (g/mol): 180.01 MDL Number: MFCD03427051 InChI Key: CJUHQADBFQRIMC-UHFFFAOYSA-N Synonym: 4-isopropoxyphenylboronic acid,4-isopropoxylphenylboronic acid,4-isopropoxyphenyl boronic acid,4-isopropoxybenzeneboronic acid,4-isopropyloxyphenylboronic acid,4-propan-2-yloxyphenyl boronic acid,boronic acid, 4-1-methylethoxy phenyl,4-propan-2-yloxy phenyl boronic acid,4-iso-propoxyphenylboronic acid,p-isopropoxyphenylboronic acid PubChem CID: 3698726 IUPAC Name: (4-propan-2-yloxyphenyl)boronic acid SMILES: B(C1=CC=C(C=C1)OC(C)C)(O)O

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PubChem CID	3698726
CAS	153624-46-5
Molecular Weight (g/mol)	180.01
MDL Number	MFCD03427051
SMILES	B(C1=CC=C(C=C1)OC(C)C)(O)O
Synonym	4-isopropoxyphenylboronic acid,4-isopropoxylphenylboronic acid,4-isopropoxyphenyl boronic acid,4-isopropoxybenzeneboronic acid,4-isopropyloxyphenylboronic acid,4-propan-2-yloxyphenyl boronic acid,boronic acid, 4-1-methylethoxy phenyl,4-propan-2-yloxy phenyl boronic acid,4-iso-propoxyphenylboronic acid,p-isopropoxyphenylboronic acid
IUPAC Name	(4-propan-2-yloxyphenyl)boronic acid
InChI Key	CJUHQADBFQRIMC-UHFFFAOYSA-N
Molecular Formula	C9H13BO3

3-(Boc-aminomethyl)benzeneboronic acid, 97%

CAS: 199609-62-6 Molecular Formula: C12H18BNO4 Molecular Weight (g/mol): 251.089 MDL Number: MFCD06246052 InChI Key: YHAQUGOSDQZIMA-UHFFFAOYSA-N Synonym: 3-n-boc-aminomethyl phenylboronic acid,3-tert-butoxycarbonyl amino methyl phenyl boronic acid,3-n-boc-amino methyl phenylboronic acid,3-n-boc aminomethylphenylboronic acid,3-tert-butoxycarbonylamino methyl phenylboronic acid,3-n-boc-aminomethyl phenyl boronic acid,3-tert-butoxycarbonylaminomethyl phenylboronic acid,3-2-methylpropan-2-yl oxycarbonylamino methyl phenyl boronic acid,3-aminomethyl benzeneboronic acid, n-boc protected,3-tert-butoxycarbonyl amino methyl phenylboronic acid PubChem CID: 3684686 IUPAC Name: [3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid SMILES: B(C1=CC(=CC=C1)CNC(=O)OC(C)(C)C)(O)O

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PubChem CID	3684686
CAS	199609-62-6
Molecular Weight (g/mol)	251.089
MDL Number	MFCD06246052
SMILES	B(C1=CC(=CC=C1)CNC(=O)OC(C)(C)C)(O)O
Synonym	3-n-boc-aminomethyl phenylboronic acid,3-tert-butoxycarbonyl amino methyl phenyl boronic acid,3-n-boc-amino methyl phenylboronic acid,3-n-boc aminomethylphenylboronic acid,3-tert-butoxycarbonylamino methyl phenylboronic acid,3-n-boc-aminomethyl phenyl boronic acid,3-tert-butoxycarbonylaminomethyl phenylboronic acid,3-2-methylpropan-2-yl oxycarbonylamino methyl phenyl boronic acid,3-aminomethyl benzeneboronic acid, n-boc protected,3-tert-butoxycarbonyl amino methyl phenylboronic acid
IUPAC Name	[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
InChI Key	YHAQUGOSDQZIMA-UHFFFAOYSA-N
Molecular Formula	C12H18BNO4

3-(Methoxycarbonyl)benzeneboronic acid, 97%

CAS: 99769-19-4 Molecular Formula: C8H9BO4 Molecular Weight (g/mol): 179.97 MDL Number: MFCD02093046 InChI Key: ALTLCJHSJMGSLT-UHFFFAOYSA-N Synonym: 3-methoxycarbonyl phenylboronic acid,3-methoxycarbonylphenyl boronic acid,3-methoxycarbonyl phenyl boronic acid,3-methoxycarbonyl benzeneboronic acid,3-methoxycarbonylphenylbaronic acid,methyl 3-dihydroxyboranyl benzoate,m-methoxycarbonyl phenylboronic acid,3-carbomethoxy-phenylboronic acid PubChem CID: 2734714 SMILES: COC(=O)C1=CC=CC(=C1)B(O)O

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PubChem CID	2734714
CAS	99769-19-4
Molecular Weight (g/mol)	179.97
MDL Number	MFCD02093046
SMILES	COC(=O)C1=CC=CC(=C1)B(O)O
Synonym	3-methoxycarbonyl phenylboronic acid,3-methoxycarbonylphenyl boronic acid,3-methoxycarbonyl phenyl boronic acid,3-methoxycarbonyl benzeneboronic acid,3-methoxycarbonylphenylbaronic acid,methyl 3-dihydroxyboranyl benzoate,m-methoxycarbonyl phenylboronic acid,3-carbomethoxy-phenylboronic acid
InChI Key	ALTLCJHSJMGSLT-UHFFFAOYSA-N
Molecular Formula	C8H9BO4

2,4,6-Trimethylbenzeneboronic acid, 97%

CAS: 5980-97-2 Molecular Formula: C9H13BO2 Molecular Weight (g/mol): 164.011 MDL Number: MFCD00236060 InChI Key: BZXQRXJJJUZZAJ-UHFFFAOYSA-N Synonym: mesitylboronic acid,2,4,6-trimethylbenzeneboronic acid,2-mesityleneboronic acid,2,4,6-trimethylphenyl boronic acid,2,4,6-trimethylphenyl boranediol,boronic acid, 2,4,6-trimethylphenyl,2,4,6-trimethylboronic acid,boronic acid, b-2,4,6-trimethylphenyl,mesityl boronic acid,pubchem7895 PubChem CID: 292184 IUPAC Name: (2,4,6-trimethylphenyl)boronic acid SMILES: B(C1=C(C=C(C=C1C)C)C)(O)O

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PubChem CID	292184
CAS	5980-97-2
Molecular Weight (g/mol)	164.011
MDL Number	MFCD00236060
SMILES	B(C1=C(C=C(C=C1C)C)C)(O)O
Synonym	mesitylboronic acid,2,4,6-trimethylbenzeneboronic acid,2-mesityleneboronic acid,2,4,6-trimethylphenyl boronic acid,2,4,6-trimethylphenyl boranediol,boronic acid, 2,4,6-trimethylphenyl,2,4,6-trimethylboronic acid,boronic acid, b-2,4,6-trimethylphenyl,mesityl boronic acid,pubchem7895
IUPAC Name	(2,4,6-trimethylphenyl)boronic acid
InChI Key	BZXQRXJJJUZZAJ-UHFFFAOYSA-N
Molecular Formula	C9H13BO2

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

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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

1-Hexylboronic acid pinacol ester, 98%

CAS: 86308-26-1 Molecular Formula: C12H25BO2 Molecular Weight (g/mol): 212.14 MDL Number: MFCD08457665 InChI Key: LDPMCSWZEGKWLC-UHFFFAOYSA-N Synonym: hexylboronic acid pinacol ester,2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborole,1,3,2-dioxaborolane, 2-hexyl-4,4,5,5-tetramethyl PubChem CID: 10921795 IUPAC Name: 2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)CCCCCC

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Specifications

PubChem CID	10921795
CAS	86308-26-1
Molecular Weight (g/mol)	212.14
MDL Number	MFCD08457665
SMILES	B1(OC(C(O1)(C)C)(C)C)CCCCCC
Synonym	hexylboronic acid pinacol ester,2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborole,1,3,2-dioxaborolane, 2-hexyl-4,4,5,5-tetramethyl
IUPAC Name	2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI Key	LDPMCSWZEGKWLC-UHFFFAOYSA-N
Molecular Formula	C12H25BO2

3-Aminophenylboronic acid monohydrate, 98%

CAS: 206658-89-1 Molecular Formula: C6H10BNO3 Molecular Weight (g/mol): 154.96 MDL Number: MFCD00149554 InChI Key: XAEOVQODHLLNKX-UHFFFAOYSA-N Synonym: 3-aminophenylboronic acid monohydrate,3-aminophenyl boronic acid hydrate,3-aminophenylboronic acid hydrate,3-aminobenzeneboronic acid monohydrate,m-aminophenylboronic acid hydrate,boronic acid, 3-aminophenyl-, monohydrate,3-aminobenzeneboronic acid hydrate,pubchem4016,acmc-1cfgg,3-boronoaniline monohydrate PubChem CID: 14389423 IUPAC Name: (3-aminophenyl)boronic acid;hydrate SMILES: O.NC1=CC=CC(=C1)B(O)O

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PubChem CID	14389423
CAS	206658-89-1
Molecular Weight (g/mol)	154.96
MDL Number	MFCD00149554
SMILES	O.NC1=CC=CC(=C1)B(O)O
Synonym	3-aminophenylboronic acid monohydrate,3-aminophenyl boronic acid hydrate,3-aminophenylboronic acid hydrate,3-aminobenzeneboronic acid monohydrate,m-aminophenylboronic acid hydrate,boronic acid, 3-aminophenyl-, monohydrate,3-aminobenzeneboronic acid hydrate,pubchem4016,acmc-1cfgg,3-boronoaniline monohydrate
IUPAC Name	(3-aminophenyl)boronic acid;hydrate
InChI Key	XAEOVQODHLLNKX-UHFFFAOYSA-N
Molecular Formula	C6H10BNO3

Phenanthrene-9-boronic acid, 97%

CAS: 68572-87-2 Molecular Formula: C14H11BO2 Molecular Weight (g/mol): 222.05 MDL Number: MFCD00143524 InChI Key: JCDAUYWOHOLVMH-UHFFFAOYSA-N Synonym: 9-phenanthreneboronic acid,9-phenanthracenylboronic acid,phenanthrene-9-boronic acid,9-phenanthrenylboronic acid,9-phenanthrene boronic acid,9-phenanthreneboronicacid,9-phenanthrylboronic acid,boronic acid, 9-phenanthrenyl,phenanthracene-9-boronic acid,phenanthreneboronicacid PubChem CID: 11775704 IUPAC Name: phenanthren-9-ylboronic acid SMILES: OB(O)C1=CC2=CC=CC=C2C2=CC=CC=C12

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Specifications

PubChem CID	11775704
CAS	68572-87-2
Molecular Weight (g/mol)	222.05
MDL Number	MFCD00143524
SMILES	OB(O)C1=CC2=CC=CC=C2C2=CC=CC=C12
Synonym	9-phenanthreneboronic acid,9-phenanthracenylboronic acid,phenanthrene-9-boronic acid,9-phenanthrenylboronic acid,9-phenanthrene boronic acid,9-phenanthreneboronicacid,9-phenanthrylboronic acid,boronic acid, 9-phenanthrenyl,phenanthracene-9-boronic acid,phenanthreneboronicacid
IUPAC Name	phenanthren-9-ylboronic acid
InChI Key	JCDAUYWOHOLVMH-UHFFFAOYSA-N
Molecular Formula	C14H11BO2

3-Carboxy-2-methoxybenzeneboronic acid, 98%, Thermo Scientific Chemicals

CAS: 913836-10-9 Molecular Formula: C8H9BO5 Molecular Weight (g/mol): 195.965 MDL Number: MFCD09027237 InChI Key: QUWLFFYGKXZCER-UHFFFAOYSA-N Synonym: benzoicacid, 3-borono-2-methoxy,3-carboxy-2-methoxyphenylboronic acid,3-dihydroxyboranyl-2-methoxybenzoic acid,3-carboxy-2-methoxybenzeneboronic acid,acmc-209rau,2-methoxy-3-dihydroxyboryl benzoic acid PubChem CID: 44119386 IUPAC Name: 3-borono-2-methoxybenzoic acid SMILES: B(C1=C(C(=CC=C1)C(=O)O)OC)(O)O

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Specifications

PubChem CID	44119386
CAS	913836-10-9
Molecular Weight (g/mol)	195.965
MDL Number	MFCD09027237
SMILES	B(C1=C(C(=CC=C1)C(=O)O)OC)(O)O
Synonym	benzoicacid, 3-borono-2-methoxy,3-carboxy-2-methoxyphenylboronic acid,3-dihydroxyboranyl-2-methoxybenzoic acid,3-carboxy-2-methoxybenzeneboronic acid,acmc-209rau,2-methoxy-3-dihydroxyboryl benzoic acid
IUPAC Name	3-borono-2-methoxybenzoic acid
InChI Key	QUWLFFYGKXZCER-UHFFFAOYSA-N
Molecular Formula	C8H9BO5

2-Carboxybenzeneboronic acid, 95%

CAS: 149105-19-1 Molecular Formula: C7H7BO4 Molecular Weight (g/mol): 165.939 MDL Number: MFCD01318118 InChI Key: KWNPRVWFJOSGMZ-UHFFFAOYSA-N Synonym: 2-carboxyphenylboronic acid,2-dihydroxyboranyl benzoic acid,2-carboxybenzeneboronic acid,2-dihydroxyboronyl benzoic acid,2-dihydroxyboryl benzoic acid,carboxyphenylboronic acid,benzoic acid, 2-borono,o-carboxyphenylboronic acid,2-carboxyphenylboronicacid,borobenzoesaure PubChem CID: 2733985 IUPAC Name: 2-boronobenzoic acid SMILES: B(C1=CC=CC=C1C(=O)O)(O)O

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Specifications

PubChem CID	2733985
CAS	149105-19-1
Molecular Weight (g/mol)	165.939
MDL Number	MFCD01318118
SMILES	B(C1=CC=CC=C1C(=O)O)(O)O
Synonym	2-carboxyphenylboronic acid,2-dihydroxyboranyl benzoic acid,2-carboxybenzeneboronic acid,2-dihydroxyboronyl benzoic acid,2-dihydroxyboryl benzoic acid,carboxyphenylboronic acid,benzoic acid, 2-borono,o-carboxyphenylboronic acid,2-carboxyphenylboronicacid,borobenzoesaure
IUPAC Name	2-boronobenzoic acid
InChI Key	KWNPRVWFJOSGMZ-UHFFFAOYSA-N
Molecular Formula	C7H7BO4

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