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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (233)
Phenols (89)
Thiophenols (4)
Naphthalenes (3)
Pyrenes (3)
Fluorenes (2)
Anthracenes (1)
Indanes (1)
Unsubstituted Phenols (1)

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1 – 15 of 325 results
1

Benzyl Alcohol, BAKER ANALYZED™ Reagent, J.T. Baker™

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
2

Sulfosalicylic Acid, Dihydrate, Crystal, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™

CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O

PubChem CID 2723734
CAS 5965-83-3
Molecular Weight (g/mol) 250.27
MDL Number MFCD00007508,MFCD00149540
SMILES C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
Synonym 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd
InChI Key NFYHZVWMQHQKRU-UHFFFAOYSA-N
Molecular Formula C9H14O6S
3

p-(Dimethylamino)benzaldehyde, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™

CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1

PubChem CID 7479
CAS 100-10-7
Molecular Weight (g/mol) 149.19
MDL Number MFCD00003381
SMILES CN(C)C1=CC=C(C=O)C=C1
Synonym 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal
IUPAC Name 4-(dimethylamino)benzaldehyde
InChI Key BGNGWHSBYQYVRX-UHFFFAOYSA-N
Molecular Formula C9H11NO
4

1-Pyreneboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 5084102
CAS 164461-18-1
Molecular Weight (g/mol) 246.072
Physical Form Crystalline Powder
SMILES B(C1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4)(O)O
Synonym 1-pyrenylboronic acid,1-pyreneboronic acid,pyrene-1-boronic acid,1-boronopyrene,1-pyrenyl boronic acid
TSCA No
IUPAC Name pyren-1-ylboronic acid
InChI Key MWEKPLLMFXIZOC-UHFFFAOYSA-N
Molecular Formula C16H11BO2
Formula Weight 246.07
Melting Point 251°C
5

3-Mercaptophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

Molecular Weight (g/mol) 153.99
Color White-Yellow
Physical Form Crystalline Powder
SMILES B(C1=CC(=CC=C1)S)(O)O
InChI Key OBCKMTLUSKYKIW-UHFFFAOYSA-N
PubChem CID 2773922
CAS 352526-01-3
MDL Number MFCD03095131
Synonym 3-Mercaptobenzeneboronic Acid
TSCA No
IUPAC Name (3-sulfanylphenyl)boronic acid
Molecular Formula C6H7BO2S
Formula Weight 153.99
Melting Point 201°C
6

9,9'-Spirobi[9H-fluorene]-2-boronic Acid, TCI America™

PubChem CID 22564369
CAS 236389-21-2
Color White-Yellow
Physical Form Crystalline Powder
TSCA No
InChI Key WDDLHUWVLROJLA-UHFFFAOYSA-N
Molecular Formula C25H17BO2
Formula Weight 360.22
7

3,5-Dibromophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 2734689
CAS 117695-55-3
Molecular Weight (g/mol) 279.722
MDL Number MFCD01075725
Physical Form Crystalline Powder
SMILES B(C1=CC(=CC(=C1)Br)Br)(O)O
TSCA No
IUPAC Name (3,5-dibromophenyl)boronic acid
InChI Key WQBLCGDZYFKINX-UHFFFAOYSA-N
Molecular Formula C6H5BBr2O2
Formula Weight 279.72
8

3-Bromophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 2734318
CAS 89598-96-9
Molecular Weight (g/mol) 200.826
MDL Number MFCD00239386
Color White-Yellow
Physical Form Crystalline Powder
SMILES B(C1=CC(=CC=C1)Br)(O)O
Synonym 3-bromophenyl boronic acid,3-bromobenzeneboronic acid,3-bromophenylboronicacid,boronic acid, 3-bromophenyl,pubchem1758
IUPAC Name (3-bromophenyl)boronic acid
InChI Key AFSSVCNPDKKSRR-UHFFFAOYSA-N
Molecular Formula C6H6BBrO2
Formula Weight 200.83
Melting Point 168°C
9

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

PubChem CID 79599
CAS 5467-74-3
MDL Number MFCD00002104
Physical Form Crystalline Powder
SMILES B(C1=CC=C(C=C1)Br)(O)O
Synonym 4-bromophenyl boronic acid,4-bromobenzeneboronic acid,4-bromophenylboric acid,p-bromophenylboronic acid,p-bromophenylboric acid
TSCA No
RTECS Number CY8650000
IUPAC Name (4-bromophenyl)boronic acid
InChI Key QBLFZIBJXUQVRF-UHFFFAOYSA-N
Molecular Formula C6H6BBrO2
Formula Weight 200.83
Melting Point 292°C
10

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

PubChem CID 2734377
CAS 51067-38-0
MDL Number MFCD00093312
Physical Form Crystalline Powder
TSCA No
IUPAC Name (4-phenoxyphenyl)boronic acid
InChI Key KFXUHRXGLWUOJT-UHFFFAOYSA-N
Molecular Formula C12H11BO3
Formula Weight 214.03
Melting Point 115°C
11

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

PubChem CID 2734354
CAS 1993-03-9
Molecular Weight (g/mol) 139.92
MDL Number MFCD00674013
Physical Form Crystalline Powder
SMILES B(C1=CC=CC=C1F)(O)O
Synonym 2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl
TSCA No
IUPAC Name (2-fluorophenyl)boronic acid
InChI Key QCSLIRFWJPOENV-UHFFFAOYSA-N
Molecular Formula C6H6BFO2
Formula Weight 139.92
Melting Point 110°C
12

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

Molecular Weight (g/mol) 149.94
Color White-Yellow
Physical Form Crystalline Powder
SMILES B(C1=CC(=CC=C1)C=O)(O)O
InChI Key HJBGZJMKTOMQRR-UHFFFAOYSA-N
PubChem CID 2734356
CAS 87199-16-4
MDL Number MFCD00161356
Synonym 3-formylphenyl boronic acid
TSCA No
IUPAC Name (3-formylphenyl)boronic acid
Molecular Formula C7H7BO3
Formula Weight 149.94
Melting Point 113°C
13

2,6-Difluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 2734336
CAS 162101-25-9
Molecular Weight (g/mol) 157.911
Color White-Yellow
Physical Form Crystalline Powder
SMILES B(C1=C(C=CC=C1F)F)(O)O
Synonym 2,6-difluorobenzeneboronic acid,2,6-difluorophenyl boronic acid,2,6-difluorophenyl boranediol,boronic acid, 2,6-difluorophenyl,2,6-difluorphenylboronic acid
TSCA No
IUPAC Name (2,6-difluorophenyl)boronic acid
InChI Key DBZAICSEFBVFHL-UHFFFAOYSA-N
Molecular Formula C6H5BF2O2
Formula Weight 157.91
Melting Point 149°C
14

3-Acetamidophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 157274
CAS 78887-39-5
Molecular Weight (g/mol) 178.982
MDL Number MFCD00236013
Color Yellow
Physical Form Crystalline Powder
SMILES B(C1=CC(=CC=C1)NC(=O)C)(O)O
TSCA No
IUPAC Name (3-acetamidophenyl)boronic acid
InChI Key IBTSWKLSEOGJGJ-UHFFFAOYSA-N
Molecular Formula C8H10BNO3
Formula Weight 178.98
Melting Point 140°C
15

4'-Propyl-4-biphenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 19042596
CAS 153035-56-4
Molecular Weight (g/mol) 240.109
MDL Number MFCD01114670
Color White-Yellow
Physical Form Crystalline Powder
SMILES B(C1=CC=C(C=C1)C2=CC=C(C=C2)CCC)(O)O
TSCA No
IUPAC Name [4-(4-propylphenyl)phenyl]boronic acid
InChI Key NOQFUISBLHCDSR-UHFFFAOYSA-N
Molecular Formula C15H17BO2
Formula Weight 240.11