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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 (63,569)
Phenols (11,502)
Naphthalenes (4,972)
Fluorenes (1,228)
Unsubstituted Phenols (1,165)
Thiophenols (622)
Phenol esters (521)
Anthracenes (399)
Tetralins (320)
Phenanthrenes and derivatives (298)
Triphenyl compounds (285)
Indanes (266)
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Dibenzocycloheptenes (65)
Ellagic acids and derivatives (33)
Naphthacenes (31)
Pentacenequinones (16)
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Acenaphthylenes (9)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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4,786 – 4,800 of 72,093 results
4,786

Triphenylene, 98%

CAS: 217-59-4 Molecular Formula: C18H12 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00001108 InChI Key: SLGBZMMZGDRARJ-UHFFFAOYSA-N Synonym: 9,10-benzophenanthrene,isochrysene,9,10-benzphenanthrene,benzo l phenanthrene,1,2,3,4-dibenznaphthalene,benzophenanthrene,1,2:3,4-dibenznaphthalene,ccris 1301,triphenylen-1-yl PubChem CID: 9170 ChEBI: CHEBI:33080 IUPAC Name: triphenylene SMILES: C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21

PubChem CID 9170
CAS 217-59-4
Molecular Weight (g/mol) 228.29
ChEBI CHEBI:33080
MDL Number MFCD00001108
SMILES C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21
Synonym 9,10-benzophenanthrene,isochrysene,9,10-benzphenanthrene,benzo l phenanthrene,1,2,3,4-dibenznaphthalene,benzophenanthrene,1,2:3,4-dibenznaphthalene,ccris 1301,triphenylen-1-yl
IUPAC Name triphenylene
InChI Key SLGBZMMZGDRARJ-UHFFFAOYSA-N
Molecular Formula C18H12
4,787

1,2-Dibenzoylethylene, predominantly trans, 96%

CAS: 959-28-4 Molecular Formula: C16H12O2 Molecular Weight (g/mol): 236.27 MDL Number: MFCD00003083 InChI Key: WYCXGQSQHAXLPK-VAWYXSNFSA-N Synonym: trans-1,2-dibenzoylethylene,dibenzoylethylene,1,2-dibenzoylethylene,1,4-diphenyl-2-butene-1,4-dione,trans-1,4-diphenyl-2-butene-1,4-dione,1,2-dibenzoylethene,ethylene, 1,2-dibenzoyl,usaf nd-57,2-butene-1,4-dione, 1,4-diphenyl,trans-diphenacylidene PubChem CID: 735960 IUPAC Name: (E)-1,4-diphenylbut-2-ene-1,4-dione SMILES: C1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=CC=C2

PubChem CID 735960
CAS 959-28-4
Molecular Weight (g/mol) 236.27
MDL Number MFCD00003083
SMILES C1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=CC=C2
Synonym trans-1,2-dibenzoylethylene,dibenzoylethylene,1,2-dibenzoylethylene,1,4-diphenyl-2-butene-1,4-dione,trans-1,4-diphenyl-2-butene-1,4-dione,1,2-dibenzoylethene,ethylene, 1,2-dibenzoyl,usaf nd-57,2-butene-1,4-dione, 1,4-diphenyl,trans-diphenacylidene
IUPAC Name (E)-1,4-diphenylbut-2-ene-1,4-dione
InChI Key WYCXGQSQHAXLPK-VAWYXSNFSA-N
Molecular Formula C16H12O2
4,788

1,3-Di-tert-butylbenzene, 99%

CAS: 1014-60-4 Molecular Formula: C14H22 Molecular Weight (g/mol): 190.33 MDL Number: MFCD00008830 InChI Key: ILNDSSCEZZFNGE-UHFFFAOYSA-N Synonym: 1,3-di-tert-butylbenzene,benzene, 1,3-bis 1,1-dimethylethyl,benzene, m-di-tert-butyl,m-di-tert-butylbenzene,1,3-di-t-butylbenzene,1,3-ditert-butyl-benzene,1,3-ditertiarybutylbenzene,1,3-di-tert-butyl-benzene,acmc-1bo58,1,3-bis tert-butyl benzene PubChem CID: 136810 IUPAC Name: 1,3-ditert-butylbenzene SMILES: CC(C)(C)C1=CC(=CC=C1)C(C)(C)C

PubChem CID 136810
CAS 1014-60-4
Molecular Weight (g/mol) 190.33
MDL Number MFCD00008830
SMILES CC(C)(C)C1=CC(=CC=C1)C(C)(C)C
Synonym 1,3-di-tert-butylbenzene,benzene, 1,3-bis 1,1-dimethylethyl,benzene, m-di-tert-butyl,m-di-tert-butylbenzene,1,3-di-t-butylbenzene,1,3-ditert-butyl-benzene,1,3-ditertiarybutylbenzene,1,3-di-tert-butyl-benzene,acmc-1bo58,1,3-bis tert-butyl benzene
IUPAC Name 1,3-ditert-butylbenzene
InChI Key ILNDSSCEZZFNGE-UHFFFAOYSA-N
Molecular Formula C14H22
4,789

5-Amino-2-chlorobenzotrifluoride, 99%

CAS: 320-51-4 Molecular Formula: C7H5ClF3N Molecular Weight (g/mol): 195.57 MDL Number: MFCD00007846 InChI Key: ASPDJZINBYYZRU-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl aniline,5-amino-2-chlorobenzotrifluoride,3-trifluoromethyl-4-chloroaniline,4-chloro-alpha,alpha,alpha-trifluoro-m-toluidine,2-chloro-5-aminobenzotrifluoride,acbt,benzenamine, 4-chloro-3-trifluoromethyl,2-chloro-5-aminebenzotrifluoride,4-chloro-3-trifluoromethyl-phenylamine,4-chloro-3-trifluoromethyl benzenamine PubChem CID: 67574 ChEBI: CHEBI:59245 IUPAC Name: 4-chloro-3-(trifluoromethyl)aniline SMILES: C1=CC(=C(C=C1N)C(F)(F)F)Cl

PubChem CID 67574
CAS 320-51-4
Molecular Weight (g/mol) 195.57
ChEBI CHEBI:59245
MDL Number MFCD00007846
SMILES C1=CC(=C(C=C1N)C(F)(F)F)Cl
Synonym 4-chloro-3-trifluoromethyl aniline,5-amino-2-chlorobenzotrifluoride,3-trifluoromethyl-4-chloroaniline,4-chloro-alpha,alpha,alpha-trifluoro-m-toluidine,2-chloro-5-aminobenzotrifluoride,acbt,benzenamine, 4-chloro-3-trifluoromethyl,2-chloro-5-aminebenzotrifluoride,4-chloro-3-trifluoromethyl-phenylamine,4-chloro-3-trifluoromethyl benzenamine
IUPAC Name 4-chloro-3-(trifluoromethyl)aniline
InChI Key ASPDJZINBYYZRU-UHFFFAOYSA-N
Molecular Formula C7H5ClF3N
4,790

3-Fluorobenzonitrile, 98%

CAS: 403-54-3 Molecular Formula: C7H4FN Molecular Weight (g/mol): 121.11 MDL Number: MFCD00001797 InChI Key: JZTPKAROPNTQQV-UHFFFAOYSA-N Synonym: benzonitrile, 3-fluoro,m-fluorobenzonitrile,m-cyanofluorobenzene,benzonitrile, m-fluoro,3-fluoro-benzonitrile,3-fluorobenzenecarbonitrile,3-cyanofluorobenzene,1-cyano-3-fluorobenzene,ncr cf,m-fluorobenzonitile PubChem CID: 67880 IUPAC Name: 3-fluorobenzonitrile SMILES: FC1=CC=CC(=C1)C#N

PubChem CID 67880
CAS 403-54-3
Molecular Weight (g/mol) 121.11
MDL Number MFCD00001797
SMILES FC1=CC=CC(=C1)C#N
Synonym benzonitrile, 3-fluoro,m-fluorobenzonitrile,m-cyanofluorobenzene,benzonitrile, m-fluoro,3-fluoro-benzonitrile,3-fluorobenzenecarbonitrile,3-cyanofluorobenzene,1-cyano-3-fluorobenzene,ncr cf,m-fluorobenzonitile
IUPAC Name 3-fluorobenzonitrile
InChI Key JZTPKAROPNTQQV-UHFFFAOYSA-N
Molecular Formula C7H4FN
4,791

5-Nitrosalicylic acid, 98%

CAS: 96-97-9 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00007338 InChI Key: PPDRLQLKHRZIJC-UHFFFAOYSA-N Synonym: 5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid PubChem CID: 7318 ChEBI: CHEBI:61281 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O

PubChem CID 7318
CAS 96-97-9
Molecular Weight (g/mol) 183.119
ChEBI CHEBI:61281
MDL Number MFCD00007338
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O
Synonym 5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid
InChI Key PPDRLQLKHRZIJC-UHFFFAOYSA-N
Molecular Formula C7H5NO5
4,792

3,5-Dibromo-4-methylphenol, 97%

CAS: 13979-81-2 Molecular Formula: C7H6Br2O Molecular Weight (g/mol): 265.932 MDL Number: MFCD00013968 InChI Key: AXCQKKVGMZCWPC-UHFFFAOYSA-N PubChem CID: 55457 IUPAC Name: 3,5-dibromo-4-methylphenol SMILES: CC1=C(C=C(C=C1Br)O)Br

PubChem CID 55457
CAS 13979-81-2
Molecular Weight (g/mol) 265.932
MDL Number MFCD00013968
SMILES CC1=C(C=C(C=C1Br)O)Br
IUPAC Name 3,5-dibromo-4-methylphenol
InChI Key AXCQKKVGMZCWPC-UHFFFAOYSA-N
Molecular Formula C7H6Br2O
4,793

4-Phenoxybenzenesulfonyl chloride, 97%

CAS: 1623-92-3 Molecular Formula: C12H9ClO3S Molecular Weight (g/mol): 268.71 MDL Number: MFCD00625748 InChI Key: QIZPONOMFWAPRR-UHFFFAOYSA-N Synonym: 4-phenoxybenzene-1-sulfonyl chloride,benzenesulfonyl chloride, 4-phenoxy,4-phenoxy-benzenesulfonyl chloride,4-phenoxyphenylsulfonyl chloride,4-phenoxybenzenesulphonyl chloride,4-phenoxy benzene sulfonyl chloride,acmc-1bvtb,chloro 4-phenoxyphenyl sulfone,4-phenoxybenzene-sulfonyl chloride,4-phenoxy-benzenesulphonyl chloride PubChem CID: 2794756 IUPAC Name: 4-phenoxybenzenesulfonyl chloride SMILES: ClS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1

PubChem CID 2794756
CAS 1623-92-3
Molecular Weight (g/mol) 268.71
MDL Number MFCD00625748
SMILES ClS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1
Synonym 4-phenoxybenzene-1-sulfonyl chloride,benzenesulfonyl chloride, 4-phenoxy,4-phenoxy-benzenesulfonyl chloride,4-phenoxyphenylsulfonyl chloride,4-phenoxybenzenesulphonyl chloride,4-phenoxy benzene sulfonyl chloride,acmc-1bvtb,chloro 4-phenoxyphenyl sulfone,4-phenoxybenzene-sulfonyl chloride,4-phenoxy-benzenesulphonyl chloride
IUPAC Name 4-phenoxybenzenesulfonyl chloride
InChI Key QIZPONOMFWAPRR-UHFFFAOYSA-N
Molecular Formula C12H9ClO3S
4,794

o-Dianisidine, free base, 99.9%, MP Biomedicals™

CAS: 119-90-4 Molecular Formula: C14H16N2O2 Molecular Weight (g/mol): 244.294 InChI Key: JRBJSXQPQWSCCF-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b PubChem CID: 8411 ChEBI: CHEBI:82321 IUPAC Name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N

PubChem CID 8411
CAS 119-90-4
Molecular Weight (g/mol) 244.294
ChEBI CHEBI:82321
SMILES COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
Synonym 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b
IUPAC Name 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline
InChI Key JRBJSXQPQWSCCF-UHFFFAOYSA-N
Molecular Formula C14H16N2O2
4,795

2-Hydroxy-4-methoxybenzophenone, 98%

CAS: 131-57-7 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00008387 InChI Key: DXGLGDHPHMLXJC-UHFFFAOYSA-N Synonym: oxybenzone,2-hydroxy-4-methoxybenzophenone,benzophenone-3,oxybenzon,4-methoxy-2-hydroxybenzophenone,2-benzoyl-5-methoxyphenol,oxibenzona,oxybenzonum,2-hydroxy-4-methoxyphenyl phenyl methanone,anuvex PubChem CID: 4632 ChEBI: CHEBI:34283 IUPAC Name: (2-hydroxy-4-methoxyphenyl)-phenylmethanone SMILES: COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

PubChem CID 4632
CAS 131-57-7
Molecular Weight (g/mol) 228.25
ChEBI CHEBI:34283
MDL Number MFCD00008387
SMILES COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
Synonym oxybenzone,2-hydroxy-4-methoxybenzophenone,benzophenone-3,oxybenzon,4-methoxy-2-hydroxybenzophenone,2-benzoyl-5-methoxyphenol,oxibenzona,oxybenzonum,2-hydroxy-4-methoxyphenyl phenyl methanone,anuvex
IUPAC Name (2-hydroxy-4-methoxyphenyl)-phenylmethanone
InChI Key DXGLGDHPHMLXJC-UHFFFAOYSA-N
Molecular Formula C14H12O3
4,796

4-Methoxybenzylamine, 98%

CAS: 2393-23-9 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 InChI Key: IDPURXSQCKYKIJ-UHFFFAOYSA-N Synonym: 4-methoxybenzylamine,4-methoxyphenyl methanamine,benzenemethanamine, 4-methoxy,p-methoxybenzylamine,4-methoxy-benzylamine,anisylamine,benzylamine, p-methoxy,4-methoxybenzyl amine,1-4-methoxyphenyl methanamine,4-methoxyphenyl methylamine PubChem CID: 75452 ChEBI: CHEBI:49837 IUPAC Name: (4-methoxyphenyl)methanamine SMILES: COC1=CC=C(C=C1)CN

PubChem CID 75452
CAS 2393-23-9
Molecular Weight (g/mol) 137.18
ChEBI CHEBI:49837
SMILES COC1=CC=C(C=C1)CN
Synonym 4-methoxybenzylamine,4-methoxyphenyl methanamine,benzenemethanamine, 4-methoxy,p-methoxybenzylamine,4-methoxy-benzylamine,anisylamine,benzylamine, p-methoxy,4-methoxybenzyl amine,1-4-methoxyphenyl methanamine,4-methoxyphenyl methylamine
IUPAC Name (4-methoxyphenyl)methanamine
InChI Key IDPURXSQCKYKIJ-UHFFFAOYSA-N
Molecular Formula C8H11NO
4,797

3-Bromophenol, 98%

CAS: 591-20-8 Molecular Formula: C6H5BrO Molecular Weight (g/mol): 173.01 MDL Number: MFCD00002253 InChI Key: MNOJRWOWILAHAV-UHFFFAOYSA-N Synonym: m-bromophenol,phenol, 3-bromo,3-bromo phenol,3-bromo-phenol,phenol, m-bromo,unii-vmu0x6956y,meta bromophenol,meta-bromophenol,3 bromophenol,3-bromanylphenol PubChem CID: 11563 IUPAC Name: 3-bromophenol SMILES: OC1=CC=CC(Br)=C1

PubChem CID 11563
CAS 591-20-8
Molecular Weight (g/mol) 173.01
MDL Number MFCD00002253
SMILES OC1=CC=CC(Br)=C1
Synonym m-bromophenol,phenol, 3-bromo,3-bromo phenol,3-bromo-phenol,phenol, m-bromo,unii-vmu0x6956y,meta bromophenol,meta-bromophenol,3 bromophenol,3-bromanylphenol
IUPAC Name 3-bromophenol
InChI Key MNOJRWOWILAHAV-UHFFFAOYSA-N
Molecular Formula C6H5BrO
4,798

Dimethyl 3-nitrophthalate, 98%

CAS: 13365-26-9 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.183 MDL Number: MFCD00017184 InChI Key: MLQMIKSBTAZNBK-UHFFFAOYSA-N PubChem CID: 249912 IUPAC Name: dimethyl 3-nitrobenzene-1,2-dicarboxylate SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC

PubChem CID 249912
CAS 13365-26-9
Molecular Weight (g/mol) 239.183
MDL Number MFCD00017184
SMILES COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC
IUPAC Name dimethyl 3-nitrobenzene-1,2-dicarboxylate
InChI Key MLQMIKSBTAZNBK-UHFFFAOYSA-N
Molecular Formula C10H9NO6
4,799

3-(Trifluoromethyl)benzeneboronic acid, 98%

CAS: 1423-26-3 Molecular Formula: C7H6BF3O2 Molecular Weight (g/mol): 189.93 MDL Number: MFCD00151854 InChI Key: WOAORAPRPVIATR-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenylboronic acid,3-trifluoromethylphenylboronic acid,3-trifluoromethyl phenyl boronic acid,3-trifluoromethyl benzeneboronic acid,m-trifluoromethyl phenylboronic acid,3-trifluoromethylboronic acid,3-trifluoromethyl phenyl boranediol,3-boronobenzotrifluoride,3-trifluoromethyl benzeneboronic acid/anhydride PubChem CID: 2734388 IUPAC Name: [3-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=CC(=C1)C(F)(F)F

PubChem CID 2734388
CAS 1423-26-3
Molecular Weight (g/mol) 189.93
MDL Number MFCD00151854
SMILES OB(O)C1=CC=CC(=C1)C(F)(F)F
Synonym 3-trifluoromethyl phenylboronic acid,3-trifluoromethylphenylboronic acid,3-trifluoromethyl phenyl boronic acid,3-trifluoromethyl benzeneboronic acid,m-trifluoromethyl phenylboronic acid,3-trifluoromethylboronic acid,3-trifluoromethyl phenyl boranediol,3-boronobenzotrifluoride,3-trifluoromethyl benzeneboronic acid/anhydride
IUPAC Name [3-(trifluoromethyl)phenyl]boronic acid
InChI Key WOAORAPRPVIATR-UHFFFAOYSA-N
Molecular Formula C7H6BF3O2
4,800

2-(3-Bromophenoxy)pyridine, 97%, Thermo Scientific™

CAS: 92545-83-0 Molecular Formula: C11H8BrNO Molecular Weight (g/mol): 250.10 MDL Number: MFCD08741430 InChI Key: CXEIVVAAUANDIA-UHFFFAOYSA-N Synonym: 2-3-bromophenoxy pyridine,2-3-bromophenoxyl pyridine,pyridine, 2-3-bromophenoxy,3-bromophenyl pyridin-2-yl ether,3-bromo-1-2-pyridyloxy benzene,1-bromo-3-pyridin-2-yl oxy benzene PubChem CID: 21616612 IUPAC Name: 2-(3-bromophenoxy)pyridine SMILES: BrC1=CC=CC(OC2=CC=CC=N2)=C1

PubChem CID 21616612
CAS 92545-83-0
Molecular Weight (g/mol) 250.10
MDL Number MFCD08741430
SMILES BrC1=CC=CC(OC2=CC=CC=N2)=C1
Synonym 2-3-bromophenoxy pyridine,2-3-bromophenoxyl pyridine,pyridine, 2-3-bromophenoxy,3-bromophenyl pyridin-2-yl ether,3-bromo-1-2-pyridyloxy benzene,1-bromo-3-pyridin-2-yl oxy benzene
IUPAC Name 2-(3-bromophenoxy)pyridine
InChI Key CXEIVVAAUANDIA-UHFFFAOYSA-N
Molecular Formula C11H8BrNO