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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 (129,838)
Phenols (24,890)
Naphthalenes (6,293)
Phenol esters (4,684)
Unsubstituted Phenols (1,453)
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Thiophenols (748)
Anthracenes (509)
Indanes (489)
Phenanthrenes and derivatives (364)
Tetralins (340)
Pyrenes (280)
Triphenyl compounds (280)
Dibenzocycloheptenes (60)
Naphthacenes (35)
Ellagic acids and derivatives (33)
Pentacenes (20)
Acenaphthylenes (17)
Pentacenequinones (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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6,136 – 6,150 of 158,371 results
6,136

2-(3,4-Dihydroxyphenyl)ethyl Alcohol 98.0+%, TCI America™

CAS: 10597-60-1 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.165 MDL Number: MFCD01320529 InChI Key: JUUBCHWRXWPFFH-UHFFFAOYSA-N Synonym: 3,4-Dihydroxyphenethyl Alcohol, 2-(3,4-Dihydroxyphenyl)ethanol PubChem CID: 82755 ChEBI: CHEBI:68889 IUPAC Name: 4-(2-hydroxyethyl)benzene-1,2-diol SMILES: C1=CC(=C(C=C1CCO)O)O

PubChem CID 82755
CAS 10597-60-1
Molecular Weight (g/mol) 154.165
ChEBI CHEBI:68889
MDL Number MFCD01320529
SMILES C1=CC(=C(C=C1CCO)O)O
Synonym 3,4-Dihydroxyphenethyl Alcohol, 2-(3,4-Dihydroxyphenyl)ethanol
IUPAC Name 4-(2-hydroxyethyl)benzene-1,2-diol
InChI Key JUUBCHWRXWPFFH-UHFFFAOYSA-N
Molecular Formula C8H10O3
6,137

4-(Trifluoromethyl)benzamide 98.0+%, TCI America™

CAS: 1891-90-3 Molecular Formula: C8H6F3NO Molecular Weight (g/mol): 189.14 MDL Number: MFCD00007998 InChI Key: WEJHBEDHLLBJFW-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzamide,p-trifluoromethylbenzamide,p-trifluoromethyl benzamide,benzamide, 4-trifluoromethyl,pubchem5482,acmc-20a3xk,4-carbamoylbenzotrifluoride,4-trifluoromethyl-benzamide,4-cf3-c6h4conh2,n-4-trifluoromethyl benzamide PubChem CID: 74684 IUPAC Name: 4-(trifluoromethyl)benzamide SMILES: NC(=O)C1=CC=C(C=C1)C(F)(F)F

PubChem CID 74684
CAS 1891-90-3
Molecular Weight (g/mol) 189.14
MDL Number MFCD00007998
SMILES NC(=O)C1=CC=C(C=C1)C(F)(F)F
Synonym 4-trifluoromethyl benzamide,p-trifluoromethylbenzamide,p-trifluoromethyl benzamide,benzamide, 4-trifluoromethyl,pubchem5482,acmc-20a3xk,4-carbamoylbenzotrifluoride,4-trifluoromethyl-benzamide,4-cf3-c6h4conh2,n-4-trifluoromethyl benzamide
IUPAC Name 4-(trifluoromethyl)benzamide
InChI Key WEJHBEDHLLBJFW-UHFFFAOYSA-N
Molecular Formula C8H6F3NO
6,138

2-Methyl-6-nitrobenzoic Anhydride 98.0+%, TCI America™

CAS: 434935-69-0 Molecular Formula: C16H12N2O7 Molecular Weight (g/mol): 344.279 MDL Number: MFCD06797117 InChI Key: YEKPNMQQSPHKBP-UHFFFAOYSA-N Synonym: 6-Nitro-o-toluic Anhydride, MNBA PubChem CID: 10472648 IUPAC Name: (2-methyl-6-nitrobenzoyl) 2-methyl-6-nitrobenzoate SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(=O)C2=C(C=CC=C2[N+](=O)[O-])C

PubChem CID 10472648
CAS 434935-69-0
Molecular Weight (g/mol) 344.279
MDL Number MFCD06797117
SMILES CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(=O)C2=C(C=CC=C2[N+](=O)[O-])C
Synonym 6-Nitro-o-toluic Anhydride, MNBA
IUPAC Name (2-methyl-6-nitrobenzoyl) 2-methyl-6-nitrobenzoate
InChI Key YEKPNMQQSPHKBP-UHFFFAOYSA-N
Molecular Formula C16H12N2O7
6,139

Dimethyl Isophthalate 99.0+%, TCI America™

CAS: 1459-93-4 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008433 InChI Key: VNGOYPQMJFJDLV-UHFFFAOYSA-N Synonym: dimethyl isophthalate,dimethyl m-phthalate,isophthalic acid dimethyl ester,methyl isophthalate,1,3-benzenedicarboxylic acid, dimethyl ester,morflex 1129,dimethyl 1,3-benzenedicarboxylate,dimethylisophthalate,methyl 3-carbomethoxy benzoate,isophthalic acid, dimethyl ester PubChem CID: 15088 IUPAC Name: 1,3-dimethyl benzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC=C1)C(=O)OC

PubChem CID 15088
CAS 1459-93-4
Molecular Weight (g/mol) 194.19
MDL Number MFCD00008433
SMILES COC(=O)C1=CC(=CC=C1)C(=O)OC
Synonym dimethyl isophthalate,dimethyl m-phthalate,isophthalic acid dimethyl ester,methyl isophthalate,1,3-benzenedicarboxylic acid, dimethyl ester,morflex 1129,dimethyl 1,3-benzenedicarboxylate,dimethylisophthalate,methyl 3-carbomethoxy benzoate,isophthalic acid, dimethyl ester
IUPAC Name 1,3-dimethyl benzene-1,3-dicarboxylate
InChI Key VNGOYPQMJFJDLV-UHFFFAOYSA-N
Molecular Formula C10H10O4
6,140

N-Methyl-p-toluidine 97.0+%, TCI America™

CAS: 623-08-5 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00025628 InChI Key: QCIFLGSATTWUQJ-UHFFFAOYSA-N Synonym: N,4-Dimethylaniline, 4-(Methylamino)toluene PubChem CID: 12165 IUPAC Name: N,4-dimethylaniline SMILES: CNC1=CC=C(C)C=C1

PubChem CID 12165
CAS 623-08-5
Molecular Weight (g/mol) 121.18
MDL Number MFCD00025628
SMILES CNC1=CC=C(C)C=C1
Synonym N,4-Dimethylaniline, 4-(Methylamino)toluene
IUPAC Name N,4-dimethylaniline
InChI Key QCIFLGSATTWUQJ-UHFFFAOYSA-N
Molecular Formula C8H11N
6,141

4-Fluorophenyl Isothiocyanate 98.0+%, TCI America™

CAS: 1544-68-9 Molecular Formula: C7H4FNS Molecular Weight (g/mol): 153.174 MDL Number: MFCD00004809 InChI Key: NFIUJHJMCQQYDL-UHFFFAOYSA-N Synonym: 4-fluorophenyl isothiocyanate,p-fluorophenyl isothiocyanate,benzene, 1-fluoro-4-isothiocyanato,4-fluorophenylisothiocyanate,1-fluoro-4-isothiocyanato-benzene,isothiocyanic acid, p-fluorophenyl ester,isothiocyanic acid 4-fluorophenyl ester,4-fluorobenzenisothiocyanate,4-fluoroisothiocyanatobenzene,pubchem5008 PubChem CID: 15241 IUPAC Name: 1-fluoro-4-isothiocyanatobenzene SMILES: C1=CC(=CC=C1N=C=S)F

PubChem CID 15241
CAS 1544-68-9
Molecular Weight (g/mol) 153.174
MDL Number MFCD00004809
SMILES C1=CC(=CC=C1N=C=S)F
Synonym 4-fluorophenyl isothiocyanate,p-fluorophenyl isothiocyanate,benzene, 1-fluoro-4-isothiocyanato,4-fluorophenylisothiocyanate,1-fluoro-4-isothiocyanato-benzene,isothiocyanic acid, p-fluorophenyl ester,isothiocyanic acid 4-fluorophenyl ester,4-fluorobenzenisothiocyanate,4-fluoroisothiocyanatobenzene,pubchem5008
IUPAC Name 1-fluoro-4-isothiocyanatobenzene
InChI Key NFIUJHJMCQQYDL-UHFFFAOYSA-N
Molecular Formula C7H4FNS
6,142

Tetraphenylphosphonium Chloride 98.0+%, TCI America™

CAS: 2001-45-8 Molecular Formula: C24H20ClP Molecular Weight (g/mol): 374.85 MDL Number: MFCD00011916 InChI Key: WAGFXJQAIZNSEQ-UHFFFAOYSA-M Synonym: tetraphenylphosphonium chloride,phosphonium, tetraphenyl-, chloride,tetraphenylphosphoniumchloride,tetraphenylchlorophosphine,tetraphenylphosphanium chloride,tetraphenyl phosphonium chloride,ph4pcl,tetraphenylphophonium chloride,tetraphenylphosphonium chloride, for the spectrophotometric det. of bi, co PubChem CID: 164911 IUPAC Name: tetraphenylphosphanium chloride SMILES: [Cl-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 164911
CAS 2001-45-8
Molecular Weight (g/mol) 374.85
MDL Number MFCD00011916
SMILES [Cl-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym tetraphenylphosphonium chloride,phosphonium, tetraphenyl-, chloride,tetraphenylphosphoniumchloride,tetraphenylchlorophosphine,tetraphenylphosphanium chloride,tetraphenyl phosphonium chloride,ph4pcl,tetraphenylphophonium chloride,tetraphenylphosphonium chloride, for the spectrophotometric det. of bi, co
IUPAC Name tetraphenylphosphanium chloride
InChI Key WAGFXJQAIZNSEQ-UHFFFAOYSA-M
Molecular Formula C24H20ClP
6,143

Methyl Pentafluorobenzoate 98.0+%, TCI America™

CAS: 36629-42-2 Molecular Formula: C8H3F5O2 Molecular Weight (g/mol): 226.10 MDL Number: MFCD00012172 InChI Key: UXJRQNXHCZKHRJ-UHFFFAOYSA-N Synonym: methyl pentafluorobenzoate,pentafluorobenzoic acid methyl ester,benzoic acid, pentafluoro-, methyl ester,benzoic acid,2,3,4,5,6-pentafluoro-, methyl ester,methylpentafluorobenzoate,methyl perfluorobenzoate,acmc-209inq,methyl pentafluorbenzoate,perfluorobenzoic acid methyl ester PubChem CID: 606853 IUPAC Name: methyl 2,3,4,5,6-pentafluorobenzoate SMILES: COC(=O)C1=C(F)C(F)=C(F)C(F)=C1F

PubChem CID 606853
CAS 36629-42-2
Molecular Weight (g/mol) 226.10
MDL Number MFCD00012172
SMILES COC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
Synonym methyl pentafluorobenzoate,pentafluorobenzoic acid methyl ester,benzoic acid, pentafluoro-, methyl ester,benzoic acid,2,3,4,5,6-pentafluoro-, methyl ester,methylpentafluorobenzoate,methyl perfluorobenzoate,acmc-209inq,methyl pentafluorbenzoate,perfluorobenzoic acid methyl ester
IUPAC Name methyl 2,3,4,5,6-pentafluorobenzoate
InChI Key UXJRQNXHCZKHRJ-UHFFFAOYSA-N
Molecular Formula C8H3F5O2
6,144

4-Cyanobenzoic Acid 98.0+%, TCI America™

CAS: 619-65-8 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00002528 InChI Key: ADCUEPOHPCPMCE-UHFFFAOYSA-N Synonym: p-cyanobenzoic acid,benzoic acid, 4-cyano,p-carboxybenzonitrile,4-carboxybenzonitrile,benzoic acid, p-cyano,4-cyano-benzoic acid,4-cyano benzoic acid,benzoicacid, 4-cyano,4-cyanobenzoicacid,para-cyanobenzoic acid PubChem CID: 12087 IUPAC Name: 4-cyanobenzoic acid SMILES: C1=CC(=CC=C1C#N)C(=O)O

PubChem CID 12087
CAS 619-65-8
Molecular Weight (g/mol) 147.133
MDL Number MFCD00002528
SMILES C1=CC(=CC=C1C#N)C(=O)O
Synonym p-cyanobenzoic acid,benzoic acid, 4-cyano,p-carboxybenzonitrile,4-carboxybenzonitrile,benzoic acid, p-cyano,4-cyano-benzoic acid,4-cyano benzoic acid,benzoicacid, 4-cyano,4-cyanobenzoicacid,para-cyanobenzoic acid
IUPAC Name 4-cyanobenzoic acid
InChI Key ADCUEPOHPCPMCE-UHFFFAOYSA-N
Molecular Formula C8H5NO2
6,145

4-Chlorobenzoic Acid 99.0+%, TCI America™

CAS: 74-11-3 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00002531 InChI Key: XRHGYUZYPHTUJZ-UHFFFAOYSA-N Synonym: p-chlorobenzoic acid,benzoic acid, 4-chloro,p-chlorbenzoic acid,chlorodracylic acid,benzoic acid, p-chloro,para-chlorobenzoic acid,4-chloro-benzoic acid,p-carboxychlorobenzene,acido p-clorobenzoico,acido p-clorobenzoico italian PubChem CID: 6318 ChEBI: CHEBI:30747 IUPAC Name: 4-chlorobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)Cl

PubChem CID 6318
CAS 74-11-3
Molecular Weight (g/mol) 156.565
ChEBI CHEBI:30747
MDL Number MFCD00002531
SMILES C1=CC(=CC=C1C(=O)O)Cl
Synonym p-chlorobenzoic acid,benzoic acid, 4-chloro,p-chlorbenzoic acid,chlorodracylic acid,benzoic acid, p-chloro,para-chlorobenzoic acid,4-chloro-benzoic acid,p-carboxychlorobenzene,acido p-clorobenzoico,acido p-clorobenzoico italian
IUPAC Name 4-chlorobenzoic acid
InChI Key XRHGYUZYPHTUJZ-UHFFFAOYSA-N
Molecular Formula C7H5ClO2
6,146

Benzenesulfohydroxamic Acid 98.0+%, TCI America™

CAS: 599-71-3 Molecular Formula: C6H7NO3S Molecular Weight (g/mol): 173.186 MDL Number: MFCD00025013 InChI Key: BRMDATNYMUMZLN-UHFFFAOYSA-N Synonym: piloty's acid,benzenesulfohydroxamic acid,benzenesulfonamide, n-hydroxy,benzenesulphonohydroxamic acid,benzsulfohydroxamic acid,hydroxamic acid, benzsulfo,n-phenylsulfonyl hydroxylamine,hydroxylamine, n-phenylsulfonyl,unii-c64l4umh19,n-hydroxy-benzenesulfonamide PubChem CID: 69033 IUPAC Name: N-hydroxybenzenesulfonamide SMILES: C1=CC=C(C=C1)S(=O)(=O)NO

PubChem CID 69033
CAS 599-71-3
Molecular Weight (g/mol) 173.186
MDL Number MFCD00025013
SMILES C1=CC=C(C=C1)S(=O)(=O)NO
Synonym piloty's acid,benzenesulfohydroxamic acid,benzenesulfonamide, n-hydroxy,benzenesulphonohydroxamic acid,benzsulfohydroxamic acid,hydroxamic acid, benzsulfo,n-phenylsulfonyl hydroxylamine,hydroxylamine, n-phenylsulfonyl,unii-c64l4umh19,n-hydroxy-benzenesulfonamide
IUPAC Name N-hydroxybenzenesulfonamide
InChI Key BRMDATNYMUMZLN-UHFFFAOYSA-N
Molecular Formula C6H7NO3S
6,147

Voriconazole 98.0+%, TCI America™

CAS: 137234-62-9 Molecular Formula: C16H14F3N5O Molecular Weight (g/mol): 349.317 MDL Number: MFCD00905717 InChI Key: BCEHBSKCWLPMDN-MGPLVRAMSA-N Synonym: voriconazole,vfend,2r,3s-2-2,4-difluorophenyl-3-5-fluoropyrimidin-4-yl-1-1h-1,2,4-triazol-1-yl butan-2-ol,voriconazol,voriconazolum,voriconazole usan:inn:ban,unii-jfu09i87tr,vfend tn,2r,3s-2-2,4-difluorophenyl-3-5-fluoropyrimidin-4-yl-1-1,2,4-triazol-1-yl butan-2-ol,vcz PubChem CID: 71616 ChEBI: CHEBI:10023 IUPAC Name: (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol SMILES: CC(C1=NC=NC=C1F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O

PubChem CID 71616
CAS 137234-62-9
Molecular Weight (g/mol) 349.317
ChEBI CHEBI:10023
MDL Number MFCD00905717
SMILES CC(C1=NC=NC=C1F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
Synonym voriconazole,vfend,2r,3s-2-2,4-difluorophenyl-3-5-fluoropyrimidin-4-yl-1-1h-1,2,4-triazol-1-yl butan-2-ol,voriconazol,voriconazolum,voriconazole usan:inn:ban,unii-jfu09i87tr,vfend tn,2r,3s-2-2,4-difluorophenyl-3-5-fluoropyrimidin-4-yl-1-1,2,4-triazol-1-yl butan-2-ol,vcz
IUPAC Name (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
InChI Key BCEHBSKCWLPMDN-MGPLVRAMSA-N
Molecular Formula C16H14F3N5O
6,148

2-Bromobenzophenone 97.0+%, TCI America™

CAS: 13047-06-8 Molecular Formula: C13H9BrO Molecular Weight (g/mol): 261.12 MDL Number: MFCD00032462 InChI Key: ABEVIHIQUUXDMS-UHFFFAOYSA-N PubChem CID: 2735534 IUPAC Name: (2-bromophenyl)(phenyl)methanone SMILES: BrC1=CC=CC=C1C(=O)C1=CC=CC=C1

PubChem CID 2735534
CAS 13047-06-8
Molecular Weight (g/mol) 261.12
MDL Number MFCD00032462
SMILES BrC1=CC=CC=C1C(=O)C1=CC=CC=C1
IUPAC Name (2-bromophenyl)(phenyl)methanone
InChI Key ABEVIHIQUUXDMS-UHFFFAOYSA-N
Molecular Formula C13H9BrO
6,149

3,4-Dimethoxybenzylamine 97.0+%, TCI America™

CAS: 5763-61-1 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.21 MDL Number: MFCD00008116 InChI Key: DIVNUTGTTIRPQA-UHFFFAOYSA-N Synonym: 3,4-dimethoxybenzylamine,veratrylamine,3,4-dimethoxyphenyl methanamine,benzenemethanamine, 3,4-dimethoxy,1-3,4-dimethoxyphenyl methanamine,benzylamine, 3,4-dimethoxy,3,4-dimethoxyphenyl methylamine,veratrylamin,pubchem7394,acmc-1altc PubChem CID: 79832 IUPAC Name: 1-(3,4-dimethoxyphenyl)methanamine SMILES: COC1=CC=C(CN)C=C1OC

PubChem CID 79832
CAS 5763-61-1
Molecular Weight (g/mol) 167.21
MDL Number MFCD00008116
SMILES COC1=CC=C(CN)C=C1OC
Synonym 3,4-dimethoxybenzylamine,veratrylamine,3,4-dimethoxyphenyl methanamine,benzenemethanamine, 3,4-dimethoxy,1-3,4-dimethoxyphenyl methanamine,benzylamine, 3,4-dimethoxy,3,4-dimethoxyphenyl methylamine,veratrylamin,pubchem7394,acmc-1altc
IUPAC Name 1-(3,4-dimethoxyphenyl)methanamine
InChI Key DIVNUTGTTIRPQA-UHFFFAOYSA-N
Molecular Formula C9H13NO2
6,150

DL-3,4-Dihydroxymandelic Acid 98.0+%, TCI America™

CAS: 775-01-9 Molecular Formula: C8H8O5 Molecular Weight (g/mol): 184.147 MDL Number: MFCD00004231 InChI Key: RGHMISIYKIHAJW-UHFFFAOYSA-N PubChem CID: 85782 ChEBI: CHEBI:27637 IUPAC Name: 2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid SMILES: C1=CC(=C(C=C1C(C(=O)O)O)O)O

PubChem CID 85782
CAS 775-01-9
Molecular Weight (g/mol) 184.147
ChEBI CHEBI:27637
MDL Number MFCD00004231
SMILES C1=CC(=C(C=C1C(C(=O)O)O)O)O
IUPAC Name 2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid
InChI Key RGHMISIYKIHAJW-UHFFFAOYSA-N
Molecular Formula C8H8O5