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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Fluorobenzenes (113)
Trifluoromethylbenzenes (66)
Benzyl Derivatives (36)
Benzoyl derivatives (35)
Bromobenzenes (23)
Hydroxybenzoic Acid Derivatives (19)
Cumenes (13)
Phenylpropanes (12)
Phenylmethylamines (10)
Benzenesulfonyl compounds (9)
Iodobenzenes (9)
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Anilides (8)
Phenylcarbamic acid esters (8)
Diphenylethers (7)
Benzenesulfonamides (6)
Nitrobenzoic acids and derivatives (6)
Phthalic acid and derivatives (6)
Terphenyls (5)
Phenoxy compounds (4)
Sulfanilides (4)
Aniline and substituted anilines (3)
Nitrotoluenes (3)
Aminotoluenes (2)
Biphenyls and derivatives (2)

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1

1,1':3',1″-Terphenyl-5'-boronic acid, 95%

CAS: 128388-54-5 Molecular Formula: C18H15BO2 Molecular Weight (g/mol): 274.126 MDL Number: MFCD09953491 InChI Key: MRBZYVMZUBUDAX-UHFFFAOYSA-N Synonym: 3,5-diphenylphenyl boronic acid,1,1':3',1-terphenyl-5'-ylboronic acid,1,1':3',1-terphenyl-5'-boronic acid,3,5-diphenylbenzeneboronic acid,5'-m-terphenylboronic acid,boronic acid, 1,1':3',1-terphenyl-5'-yl,boronic acid,b-1,1':3',1-terphenyl-5'-yl,5-phenyl-1,1'-biphenyl-3-ylboronic acid,3,5-diphenylphenyl,acmc-1cc4x PubChem CID: 14739363 IUPAC Name: (3,5-diphenylphenyl)boronic acid SMILES: B(C1=CC(=CC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)(O)O

PubChem CID 14739363
CAS 128388-54-5
Molecular Weight (g/mol) 274.126
MDL Number MFCD09953491
SMILES B(C1=CC(=CC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)(O)O
Synonym 3,5-diphenylphenyl boronic acid,1,1':3',1-terphenyl-5'-ylboronic acid,1,1':3',1-terphenyl-5'-boronic acid,3,5-diphenylbenzeneboronic acid,5'-m-terphenylboronic acid,boronic acid, 1,1':3',1-terphenyl-5'-yl,boronic acid,b-1,1':3',1-terphenyl-5'-yl,5-phenyl-1,1'-biphenyl-3-ylboronic acid,3,5-diphenylphenyl,acmc-1cc4x
IUPAC Name (3,5-diphenylphenyl)boronic acid
InChI Key MRBZYVMZUBUDAX-UHFFFAOYSA-N
Molecular Formula C18H15BO2
2

3-Phenylsulfonamidopyridine-5-boronic acid pinacol ester, 96%, Thermo Scientific Chemicals

CAS: 1083326-28-6 Molecular Formula: C17H21BN2O4S Molecular Weight (g/mol): 360.235 MDL Number: MFCD13190589 InChI Key: UXJVHVXONVGHIL-UHFFFAOYSA-N Synonym: n-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-3-yl benzenesulfonamide,3-phenylsulfonamidopyridine-5-boronic acid pinacol ester,n-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-3-pyridinyl benzenesulfonamide,n-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-3-yl benzenesulfonamide,n-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridin-3-yl benzenesulfonamide PubChem CID: 52936632 IUPAC Name: N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]benzenesulfonamide SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)NS(=O)(=O)C3=CC=CC=C3

PubChem CID 52936632
CAS 1083326-28-6
Molecular Weight (g/mol) 360.235
MDL Number MFCD13190589
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)NS(=O)(=O)C3=CC=CC=C3
Synonym n-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-3-yl benzenesulfonamide,3-phenylsulfonamidopyridine-5-boronic acid pinacol ester,n-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-3-pyridinyl benzenesulfonamide,n-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-3-yl benzenesulfonamide,n-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridin-3-yl benzenesulfonamide
IUPAC Name N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]benzenesulfonamide
InChI Key UXJVHVXONVGHIL-UHFFFAOYSA-N
Molecular Formula C17H21BN2O4S
3

4-Acetamidobenzeneboronic acid, 96%

CAS: 101251-09-6 Molecular Formula: C8H10BNO3 Molecular Weight (g/mol): 178.98 MDL Number: MFCD02179451 InChI Key: VYEWTHXZHHATTA-UHFFFAOYSA-N Synonym: 4-acetylaminophenylboronic acid,4-acetamidophenyl boronic acid,p-acetamidophenylboronic acid,4-acetamidobenzeneboronic acid,4-acetamidophenyl-boronic acid,4-acetaminophenyl boronic acid,4-acetylaminophenyl boronic acid,4-acetylamino phenylboronic acid,boronic acid, 4-acetylamino phenyl PubChem CID: 2734657 IUPAC Name: (4-acetamidophenyl)boronic acid SMILES: CC(=O)NC1=CC=C(C=C1)B(O)O

PubChem CID 2734657
CAS 101251-09-6
Molecular Weight (g/mol) 178.98
MDL Number MFCD02179451
SMILES CC(=O)NC1=CC=C(C=C1)B(O)O
Synonym 4-acetylaminophenylboronic acid,4-acetamidophenyl boronic acid,p-acetamidophenylboronic acid,4-acetamidobenzeneboronic acid,4-acetamidophenyl-boronic acid,4-acetaminophenyl boronic acid,4-acetylaminophenyl boronic acid,4-acetylamino phenylboronic acid,boronic acid, 4-acetylamino phenyl
IUPAC Name (4-acetamidophenyl)boronic acid
InChI Key VYEWTHXZHHATTA-UHFFFAOYSA-N
Molecular Formula C8H10BNO3
4

2-Bromophenylboronic acid, 97%

CAS: 244205-40-1 Molecular Formula: C6H6BBrO2 Molecular Weight (g/mol): 200.83 MDL Number: MFCD01114672 InChI Key: PLVCYMZAEQRYHJ-UHFFFAOYSA-N Synonym: 2-bromophenyl boronic acid,o-bromophenylboronic acid,2-bromobenzeneboronic acid,2-bromophenylboronicacid,boronic acid, 2-bromophenyl,bromobenzeneboronic acid,pubchem13095,2-bromo phenyl boronic acid,2-bromo-phenyl boronic acid PubChem CID: 2773294 IUPAC Name: (2-bromophenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1Br

PubChem CID 2773294
CAS 244205-40-1
Molecular Weight (g/mol) 200.83
MDL Number MFCD01114672
SMILES OB(O)C1=CC=CC=C1Br
Synonym 2-bromophenyl boronic acid,o-bromophenylboronic acid,2-bromobenzeneboronic acid,2-bromophenylboronicacid,boronic acid, 2-bromophenyl,bromobenzeneboronic acid,pubchem13095,2-bromo phenyl boronic acid,2-bromo-phenyl boronic acid
IUPAC Name (2-bromophenyl)boronic acid
InChI Key PLVCYMZAEQRYHJ-UHFFFAOYSA-N
Molecular Formula C6H6BBrO2
5

2-Formylbenzeneboronic acid, 97%

CAS: 40138-16-7 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00151822 InChI Key: DGUWACLYDSWXRZ-UHFFFAOYSA-N Synonym: 2-formylphenyl boronic acid,2-formylbenzeneboronic acid,benzaldehyde-2-boronic acid,o-formylphenylboronic acid,2-boronobenzaldehyde,2-dihydroxyboryl benzaldehyde,boronic acid, 2-formylphenyl,2-benzaldehyde boronic acid,2-formylphenyl-boronic acid PubChem CID: 292189 IUPAC Name: (2-formylphenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1C=O

PubChem CID 292189
CAS 40138-16-7
Molecular Weight (g/mol) 149.94
MDL Number MFCD00151822
SMILES OB(O)C1=CC=CC=C1C=O
Synonym 2-formylphenyl boronic acid,2-formylbenzeneboronic acid,benzaldehyde-2-boronic acid,o-formylphenylboronic acid,2-boronobenzaldehyde,2-dihydroxyboryl benzaldehyde,boronic acid, 2-formylphenyl,2-benzaldehyde boronic acid,2-formylphenyl-boronic acid
IUPAC Name (2-formylphenyl)boronic acid
InChI Key DGUWACLYDSWXRZ-UHFFFAOYSA-N
Molecular Formula C7H7BO3
6

2,3,5,6-Tetrafluorobenzeneboronic acid, 99%

CAS: 511295-01-5 Molecular Formula: C6H3BF4O2 Molecular Weight (g/mol): 193.89 MDL Number: MFCD04039310 InChI Key: SORPNEUIIZJCBF-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrafluorophenyl boronic acid,2,3,5,6-tetrafluorobenzeneboronic acid,boronic acid, 2,3,5,6-tetrafluorophenyl,boronic acid, b-2,3,5,6-tetrafluorophenyl,acmc-209ks0,2,3,5,6-tetrafluorophenylboranic acid,2,3,5,6-tetrakis fluoranyl phenyl boronic acid,boronic acid, 2,3,5,6-tetrafluorophenyl-9ci PubChem CID: 2783275 IUPAC Name: (2,3,5,6-tetrafluorophenyl)boronic acid SMILES: OB(O)C1=C(F)C(F)=CC(F)=C1F

PubChem CID 2783275
CAS 511295-01-5
Molecular Weight (g/mol) 193.89
MDL Number MFCD04039310
SMILES OB(O)C1=C(F)C(F)=CC(F)=C1F
Synonym 2,3,5,6-tetrafluorophenyl boronic acid,2,3,5,6-tetrafluorobenzeneboronic acid,boronic acid, 2,3,5,6-tetrafluorophenyl,boronic acid, b-2,3,5,6-tetrafluorophenyl,acmc-209ks0,2,3,5,6-tetrafluorophenylboranic acid,2,3,5,6-tetrakis fluoranyl phenyl boronic acid,boronic acid, 2,3,5,6-tetrafluorophenyl-9ci
IUPAC Name (2,3,5,6-tetrafluorophenyl)boronic acid
InChI Key SORPNEUIIZJCBF-UHFFFAOYSA-N
Molecular Formula C6H3BF4O2
7

2,4-Difluorobenzeneboronic acid, 97%

CAS: 144025-03-6 Molecular Formula: C6H5BF2O2 Molecular Weight (g/mol): 157.91 MDL Number: MFCD01318998 InChI Key: QQLRSCZSKQTFGY-UHFFFAOYSA-N Synonym: 2,4-difluorobenzeneboronic acid,2,4-difluorophenyl boronic acid,2,4-fluorobenzene boronic acid,2,4-difluorophenyl boranediol,2,4-difluorophenyl-boronic acid,2,4-difluorophenylboronicacid,2 4-difluorophenylboronic acid,boronic acid, 2,4-difluorophenyl,boronic acid, b-2,4-difluorophenyl PubChem CID: 2734334 IUPAC Name: (2,4-difluorophenyl)boronic acid SMILES: OB(O)C1=CC=C(F)C=C1F

PubChem CID 2734334
CAS 144025-03-6
Molecular Weight (g/mol) 157.91
MDL Number MFCD01318998
SMILES OB(O)C1=CC=C(F)C=C1F
Synonym 2,4-difluorobenzeneboronic acid,2,4-difluorophenyl boronic acid,2,4-fluorobenzene boronic acid,2,4-difluorophenyl boranediol,2,4-difluorophenyl-boronic acid,2,4-difluorophenylboronicacid,2 4-difluorophenylboronic acid,boronic acid, 2,4-difluorophenyl,boronic acid, b-2,4-difluorophenyl
IUPAC Name (2,4-difluorophenyl)boronic acid
InChI Key QQLRSCZSKQTFGY-UHFFFAOYSA-N
Molecular Formula C6H5BF2O2
8

4-Chloro-2-fluorobenzeneboronic acid, 97%, Thermo Scientific Chemicals

CAS: 160591-91-3 Molecular Formula: C6H5BClFO2 Molecular Weight (g/mol): 174.362 MDL Number: MFCD02684293 InChI Key: YBNDRTRLXPEWKQ-UHFFFAOYSA-N Synonym: 4-chloro-2-fluorobenzeneboronic acid,4-chloro-2-fluorophenyl boronic acid,4-chloro-2-fluorophenylboronicacid,2-fluoro-4-chlorophenylboronic acid,b-4-chloro-2-fluorophenyl-boronic acid,4-chloro-2-fluorophenyl-boronic acid,boronic acid, 4-chloro-2-fluorophenyl,boronic acid, b-4-chloro-2-fluorophenyl,pubchem5034,4-chloro-2-fluoro-phenyl boronic acid PubChem CID: 4193595 IUPAC Name: (4-chloro-2-fluorophenyl)boronic acid SMILES: B(C1=C(C=C(C=C1)Cl)F)(O)O

PubChem CID 4193595
CAS 160591-91-3
Molecular Weight (g/mol) 174.362
MDL Number MFCD02684293
SMILES B(C1=C(C=C(C=C1)Cl)F)(O)O
Synonym 4-chloro-2-fluorobenzeneboronic acid,4-chloro-2-fluorophenyl boronic acid,4-chloro-2-fluorophenylboronicacid,2-fluoro-4-chlorophenylboronic acid,b-4-chloro-2-fluorophenyl-boronic acid,4-chloro-2-fluorophenyl-boronic acid,boronic acid, 4-chloro-2-fluorophenyl,boronic acid, b-4-chloro-2-fluorophenyl,pubchem5034,4-chloro-2-fluoro-phenyl boronic acid
IUPAC Name (4-chloro-2-fluorophenyl)boronic acid
InChI Key YBNDRTRLXPEWKQ-UHFFFAOYSA-N
Molecular Formula C6H5BClFO2
9

2-Formylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 292189
CAS 40138-16-7
Molecular Weight (g/mol) 149.94
MDL Number MFCD00151822
Physical Form Crystalline Powder
TSCA No
IUPAC Name (2-formylphenyl)boronic acid
InChI Key DGUWACLYDSWXRZ-UHFFFAOYSA-N
Molecular Formula C7H7BO3
Formula Weight 149.94
Melting Point 125°C
10

2,4-Difluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 2734334
CAS 144025-03-6
MDL Number MFCD01318998
Color White-Yellow
Physical Form Crystalline Powder
TSCA No
IUPAC Name (2,4-difluorophenyl)boronic acid
InChI Key QQLRSCZSKQTFGY-UHFFFAOYSA-N
Molecular Formula C6H5BF2O2
Formula Weight 157.91
Melting Point 250°C
11

5-Isopropyl-2-methoxybenzeneboronic acid, 98+%

CAS: 216393-63-4 Molecular Formula: C10H15BO3 Molecular Weight (g/mol): 194.037 MDL Number: MFCD01318154 InChI Key: UTKAEAGLVJFBMK-UHFFFAOYSA-N Synonym: 5-isopropyl-2-methoxyphenylboronic acid,5-isopropyl-2-methoxyphenyl boronic acid,5-isopropyl-2-methoxybenzeneboronic acid,boronic acid, 2-methoxy-5-1-methylethyl phenyl,2-methoxy-5-propan-2-ylphenyl boronic acid,2-methoxy-5-1-methylethyl phenyl boronic acid,2-methoxy-5-propan-2-yl phenyl boronic acid,acmc-1cp8q,2-methoxy-5-propan-2-yl-phenyl boronic acid,5-isopropyl-2-methoxyphenyl boronicacid PubChem CID: 4589190 IUPAC Name: (2-methoxy-5-propan-2-ylphenyl)boronic acid SMILES: B(C1=C(C=CC(=C1)C(C)C)OC)(O)O

PubChem CID 4589190
CAS 216393-63-4
Molecular Weight (g/mol) 194.037
MDL Number MFCD01318154
SMILES B(C1=C(C=CC(=C1)C(C)C)OC)(O)O
Synonym 5-isopropyl-2-methoxyphenylboronic acid,5-isopropyl-2-methoxyphenyl boronic acid,5-isopropyl-2-methoxybenzeneboronic acid,boronic acid, 2-methoxy-5-1-methylethyl phenyl,2-methoxy-5-propan-2-ylphenyl boronic acid,2-methoxy-5-1-methylethyl phenyl boronic acid,2-methoxy-5-propan-2-yl phenyl boronic acid,acmc-1cp8q,2-methoxy-5-propan-2-yl-phenyl boronic acid,5-isopropyl-2-methoxyphenyl boronicacid
IUPAC Name (2-methoxy-5-propan-2-ylphenyl)boronic acid
InChI Key UTKAEAGLVJFBMK-UHFFFAOYSA-N
Molecular Formula C10H15BO3
12

3-(Methylsulfonyl)benzeneboronic acid, 98%

CAS: 373384-18-0 Molecular Formula: C7H9BO4S Molecular Weight (g/mol): 200.015 MDL Number: MFCD03092935 InChI Key: HZFFUMBZBGETES-UHFFFAOYSA-N Synonym: 3-methylsulfonyl phenylboronic acid,3-methylsulfonyl phenyl boronic acid,3-methylsulfonylphenyl boronic acid,3-methanesulfonyl phenylboronic acid,3-methanesulfonyl phenyl boronic acid,3-methanesulfonylphenylboronic acid,boronic acid, 3-methylsulfonyl phenyl,3-methanesulfonylphenyl boronic acid,3-methanesulphonyl phenylboronic acid PubChem CID: 2773542 IUPAC Name: (3-methylsulfonylphenyl)boronic acid SMILES: B(C1=CC(=CC=C1)S(=O)(=O)C)(O)O

PubChem CID 2773542
CAS 373384-18-0
Molecular Weight (g/mol) 200.015
MDL Number MFCD03092935
SMILES B(C1=CC(=CC=C1)S(=O)(=O)C)(O)O
Synonym 3-methylsulfonyl phenylboronic acid,3-methylsulfonyl phenyl boronic acid,3-methylsulfonylphenyl boronic acid,3-methanesulfonyl phenylboronic acid,3-methanesulfonyl phenyl boronic acid,3-methanesulfonylphenylboronic acid,boronic acid, 3-methylsulfonyl phenyl,3-methanesulfonylphenyl boronic acid,3-methanesulphonyl phenylboronic acid
IUPAC Name (3-methylsulfonylphenyl)boronic acid
InChI Key HZFFUMBZBGETES-UHFFFAOYSA-N
Molecular Formula C7H9BO4S
13

4-Formylbenzeneboronic acid, 97%

CAS: 87199-17-5 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00151823 InChI Key: VXWBQOJISHAKKM-UHFFFAOYSA-N Synonym: 4-formylphenyl boronic acid,4-formylbenzeneboronic acid,4-boronobenzaldehyde,boronic acid, 4-formylphenyl,boronic acid, b-4-formylphenyl,p-formylphenylboronic acid,4-dihydroxyboryl benzaldehyde,4-dihydroxyboranyl benzaldehyde,4-benzaldehyde boronic acid,4-formyl-phenylboronic acid PubChem CID: 591073 IUPAC Name: (4-formylphenyl)boronic acid SMILES: OB(O)C1=CC=C(C=O)C=C1

PubChem CID 591073
CAS 87199-17-5
Molecular Weight (g/mol) 149.94
MDL Number MFCD00151823
SMILES OB(O)C1=CC=C(C=O)C=C1
Synonym 4-formylphenyl boronic acid,4-formylbenzeneboronic acid,4-boronobenzaldehyde,boronic acid, 4-formylphenyl,boronic acid, b-4-formylphenyl,p-formylphenylboronic acid,4-dihydroxyboryl benzaldehyde,4-dihydroxyboranyl benzaldehyde,4-benzaldehyde boronic acid,4-formyl-phenylboronic acid
IUPAC Name (4-formylphenyl)boronic acid
InChI Key VXWBQOJISHAKKM-UHFFFAOYSA-N
Molecular Formula C7H7BO3
14

4-Fluoro-3-formylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 2778651
CAS 374538-01-9
Molecular Weight (g/mol) 167.93
MDL Number MFCD02093074
Color White-Yellow
Physical Form Crystalline Powder
SMILES B(C1=CC(=C(C=C1)F)C=O)(O)O
TSCA No
IUPAC Name (4-fluoro-3-formylphenyl)boronic acid
InChI Key YABSTJQEBSKPCG-UHFFFAOYSA-N
Molecular Formula C7H6BFO3
Formula Weight 167.93
Melting Point 220°C
15

4-Chloro-2-fluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 4193595
CAS 160591-91-3
Molecular Weight (g/mol) 174.362
MDL Number MFCD02684293
Color White-Yellow
Physical Form Crystalline Powder
SMILES B(C1=C(C=C(C=C1)Cl)F)(O)O
TSCA No
IUPAC Name (4-chloro-2-fluorophenyl)boronic acid
InChI Key YBNDRTRLXPEWKQ-UHFFFAOYSA-N
Molecular Formula C6H5BClFO2
Formula Weight 174.36
Melting Point 250°C