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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 (130,195)
Phenols (25,097)
Naphthalenes (6,366)
Phenol esters (4,814)
Unsubstituted Phenols (1,453)
Fluorenes (1,280)
Thiophenols (762)
Anthracenes (515)
Indanes (488)
Phenanthrenes and derivatives (364)
Tetralins (337)
Triphenyl compounds (278)
Pyrenes (277)
Dibenzocycloheptenes (60)
Naphthacenes (35)
Ellagic acids and derivatives (33)
Pentacenes (20)
Acenaphthylenes (16)
Pentacenequinones (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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4,096 – 4,110 of 159,106 results
4,096
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2-Nitro-m-xylene, 99%

CAS: 81-20-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00007181 InChI Key: HDFQKJQEWGVKCQ-UHFFFAOYSA-N Synonym: 2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134 PubChem CID: 6672 IUPAC Name: 1,3-dimethyl-2-nitrobenzene SMILES: CC1=C(C(=CC=C1)C)[N+](=O)[O-]

PubChem CID 6672
CAS 81-20-9
Molecular Weight (g/mol) 151.165
MDL Number MFCD00007181
SMILES CC1=C(C(=CC=C1)C)[N+](=O)[O-]
Synonym 2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134
IUPAC Name 1,3-dimethyl-2-nitrobenzene
InChI Key HDFQKJQEWGVKCQ-UHFFFAOYSA-N
Molecular Formula C8H9NO2
4,097
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2-Methyl-5-nitrobenzenesulfonyl chloride, 97%

CAS: 121-02-8 Molecular Formula: C7H6ClNO4S Molecular Weight (g/mol): 235.64 MDL Number: MFCD00051695 InChI Key: WPGVQDHXOUAJBW-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzene-1-sulfonyl chloride,5-nitro-o-toluenesulfonyl chloride,2-methyl-5-nitrobenzenesulfonylchloride,benzenesulfonyl chloride, 2-methyl-5-nitro,4-nitrotoluen-2-sulfochlorid,o-toluenesulfonyl chloride, 5-nitro,4-nitrotoluen-2-sulfonylchlorid,4-nitrotoluene-2-sulphonyl chloride,4-nitrotoluen-2-sulfochlorid czech,2-methyl-5-nitrophenylsulfonyl chloride PubChem CID: 8457 IUPAC Name: 2-methyl-5-nitrobenzenesulfonyl chloride SMILES: CC1=CC=C(C=C1S(Cl)(=O)=O)[N+]([O-])=O

PubChem CID 8457
CAS 121-02-8
Molecular Weight (g/mol) 235.64
MDL Number MFCD00051695
SMILES CC1=CC=C(C=C1S(Cl)(=O)=O)[N+]([O-])=O
Synonym 2-methyl-5-nitrobenzene-1-sulfonyl chloride,5-nitro-o-toluenesulfonyl chloride,2-methyl-5-nitrobenzenesulfonylchloride,benzenesulfonyl chloride, 2-methyl-5-nitro,4-nitrotoluen-2-sulfochlorid,o-toluenesulfonyl chloride, 5-nitro,4-nitrotoluen-2-sulfonylchlorid,4-nitrotoluene-2-sulphonyl chloride,4-nitrotoluen-2-sulfochlorid czech,2-methyl-5-nitrophenylsulfonyl chloride
IUPAC Name 2-methyl-5-nitrobenzenesulfonyl chloride
InChI Key WPGVQDHXOUAJBW-UHFFFAOYSA-N
Molecular Formula C7H6ClNO4S
4,098
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4-Chloro-2-methyl-6-nitroaniline, 98%

CAS: 62790-50-5 Molecular Formula: C7H7ClN2O2 Molecular Weight (g/mol): 186.60 MDL Number: MFCD01320687 InChI Key: QDSCDFKGUAONPC-UHFFFAOYSA-N PubChem CID: 182355 IUPAC Name: 4-chloro-2-methyl-6-nitroaniline SMILES: CC1=CC(Cl)=CC(=C1N)[N+]([O-])=O

PubChem CID 182355
CAS 62790-50-5
Molecular Weight (g/mol) 186.60
MDL Number MFCD01320687
SMILES CC1=CC(Cl)=CC(=C1N)[N+]([O-])=O
IUPAC Name 4-chloro-2-methyl-6-nitroaniline
InChI Key QDSCDFKGUAONPC-UHFFFAOYSA-N
Molecular Formula C7H7ClN2O2
4,099
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5-Fluoro-1,3-dimethyl-2-nitrobenzene, 98%

CAS: 315-12-8 Molecular Formula: C8H8FNO2 Molecular Weight (g/mol): 169.155 MDL Number: MFCD03413407 InChI Key: KDPQDERPJHLWGF-UHFFFAOYSA-N Synonym: 2,6-dimethyl-4-fluoronitrobenzene,5-fluoro-2-nitro-m-xylene,1,3-dimethyl-5-fluoro-2-nitrobenzene,benzene, 5-fluoro-1,3-dimethyl-2-nitro,4-fluoro-2,6-dimethyl-1-nitrobenzene,benzene,5-fluoro-1,3-dimethyl-2-nitro,5-fluoro-2-nitro-1,3-dimethylbenzene PubChem CID: 12651353 IUPAC Name: 5-fluoro-1,3-dimethyl-2-nitrobenzene SMILES: CC1=CC(=CC(=C1[N+](=O)[O-])C)F

PubChem CID 12651353
CAS 315-12-8
Molecular Weight (g/mol) 169.155
MDL Number MFCD03413407
SMILES CC1=CC(=CC(=C1[N+](=O)[O-])C)F
Synonym 2,6-dimethyl-4-fluoronitrobenzene,5-fluoro-2-nitro-m-xylene,1,3-dimethyl-5-fluoro-2-nitrobenzene,benzene, 5-fluoro-1,3-dimethyl-2-nitro,4-fluoro-2,6-dimethyl-1-nitrobenzene,benzene,5-fluoro-1,3-dimethyl-2-nitro,5-fluoro-2-nitro-1,3-dimethylbenzene
IUPAC Name 5-fluoro-1,3-dimethyl-2-nitrobenzene
InChI Key KDPQDERPJHLWGF-UHFFFAOYSA-N
Molecular Formula C8H8FNO2
4,100

2-(2-Methyl-6-nitrophenyl)acetic acid, 95%, Thermo Scientific Chemicals

CAS: 23876-18-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00066313 InChI Key: WFKNETIJXXWRHO-UHFFFAOYSA-N Synonym: 2-2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitrophenylacetic acid,2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitro-phenylacetic acid,2-6-methyl-2-nitrophenyl acetic acid PubChem CID: 675115 SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])CC(=O)O

PubChem CID 675115
CAS 23876-18-8
Molecular Weight (g/mol) 195.174
MDL Number MFCD00066313
SMILES CC1=C(C(=CC=C1)[N+](=O)[O-])CC(=O)O
Synonym 2-2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitrophenylacetic acid,2-methyl-6-nitrophenyl acetic acid,2-methyl-6-nitro-phenylacetic acid,2-6-methyl-2-nitrophenyl acetic acid
InChI Key WFKNETIJXXWRHO-UHFFFAOYSA-N
Molecular Formula C9H9NO4
4,101
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4-Chloro-2-fluoro-5-nitrotoluene, 98%

CAS: 18349-11-6 Molecular Formula: C7H5ClFNO2 Molecular Weight (g/mol): 189.57 MDL Number: MFCD00134231 InChI Key: SJDPAVRCQNFVDM-UHFFFAOYSA-N Synonym: 4-chloro-2-fluoro-5-nitrotoluene,1-chloro-5-fluoro-4-methyl-2-nitro-benzene,toluene, 4-chloro-2-fluoro-5-nitro,benzene,1-chloro-5-fluoro-4-methyl-2-nitro,benzene, 1-chloro-5-fluoro-4-methyl-2-nitro,acmc-1c7av,4-chloro-2-fluoro-5-nitro-toluene,buttpark 146\15-31,2-chloro-4-floro-5-methylnitrobenzene,2-chloro-4-fluoro-5-methylnitrobenzene PubChem CID: 87593 IUPAC Name: 1-chloro-5-fluoro-4-methyl-2-nitrobenzene SMILES: CC1=CC(=C(Cl)C=C1F)[N+]([O-])=O

PubChem CID 87593
CAS 18349-11-6
Molecular Weight (g/mol) 189.57
MDL Number MFCD00134231
SMILES CC1=CC(=C(Cl)C=C1F)[N+]([O-])=O
Synonym 4-chloro-2-fluoro-5-nitrotoluene,1-chloro-5-fluoro-4-methyl-2-nitro-benzene,toluene, 4-chloro-2-fluoro-5-nitro,benzene,1-chloro-5-fluoro-4-methyl-2-nitro,benzene, 1-chloro-5-fluoro-4-methyl-2-nitro,acmc-1c7av,4-chloro-2-fluoro-5-nitro-toluene,buttpark 146\15-31,2-chloro-4-floro-5-methylnitrobenzene,2-chloro-4-fluoro-5-methylnitrobenzene
IUPAC Name 1-chloro-5-fluoro-4-methyl-2-nitrobenzene
InChI Key SJDPAVRCQNFVDM-UHFFFAOYSA-N
Molecular Formula C7H5ClFNO2
4,102
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4-Methyl-3-nitroaniline, 97%

CAS: 119-32-4 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007910 InChI Key: GDIIPKWHAQGCJF-UHFFFAOYSA-N Synonym: 4-amino-2-nitrotoluene,3-nitro-4-methylaniline,3-nitro-p-toluidine,m-nitro-p-toluidine,2-nitro-4-aminotoluene,benzenamine, 4-methyl-3-nitro,5-nitro-4-toluidine,p-toluidine, 3-nitro,gl-amin czech,gl-amin PubChem CID: 8390 ChEBI: CHEBI:81670 IUPAC Name: 4-methyl-3-nitroaniline SMILES: CC1=C(C=C(C=C1)N)[N+](=O)[O-]

PubChem CID 8390
CAS 119-32-4
Molecular Weight (g/mol) 152.15
ChEBI CHEBI:81670
MDL Number MFCD00007910
SMILES CC1=C(C=C(C=C1)N)[N+](=O)[O-]
Synonym 4-amino-2-nitrotoluene,3-nitro-4-methylaniline,3-nitro-p-toluidine,m-nitro-p-toluidine,2-nitro-4-aminotoluene,benzenamine, 4-methyl-3-nitro,5-nitro-4-toluidine,p-toluidine, 3-nitro,gl-amin czech,gl-amin
IUPAC Name 4-methyl-3-nitroaniline
InChI Key GDIIPKWHAQGCJF-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
4,103
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Pyrene-1-boronic acid, 95%

CAS: 164461-18-1 Molecular Formula: C16H11BO2 Molecular Weight (g/mol): 246.07 MDL Number: MFCD04974062 InChI Key: MWEKPLLMFXIZOC-UHFFFAOYSA-N Synonym: 1-pyrenylboronic acid,1-pyreneboronic acid,pyrene-1-boronic acid,1-boronopyrene,1-pyrenyl boronic acid,boronic acid, 1-pyrenyl,1-pyrene boronic acid,pyreneboronic acid,pubchem16490,pyren-1-yl boronic acid PubChem CID: 5084102 IUPAC Name: pyren-1-ylboronic acid SMILES: OB(O)C1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34

PubChem CID 5084102
CAS 164461-18-1
Molecular Weight (g/mol) 246.07
MDL Number MFCD04974062
SMILES OB(O)C1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34
Synonym 1-pyrenylboronic acid,1-pyreneboronic acid,pyrene-1-boronic acid,1-boronopyrene,1-pyrenyl boronic acid,boronic acid, 1-pyrenyl,1-pyrene boronic acid,pyreneboronic acid,pubchem16490,pyren-1-yl boronic acid
IUPAC Name pyren-1-ylboronic acid
InChI Key MWEKPLLMFXIZOC-UHFFFAOYSA-N
Molecular Formula C16H11BO2
4,104

1-Aminopyrene, 97%

CAS: 1606-67-3 Molecular Formula: C16H11N Molecular Weight (g/mol): 217.27 MDL Number: MFCD00004140 InChI Key: YZVWKHVRBDQPMQ-UHFFFAOYSA-N Synonym: 1-aminopyrene,1-pyrenamine,3-aminopyrene,pyrene, amino,pyren-1-ylamine,aminopyrene,pyrenamine,alpha-aminopyrene,unii-luw9eo1681,ccris 760 PubChem CID: 15352 IUPAC Name: pyren-1-amine SMILES: NC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34

PubChem CID 15352
CAS 1606-67-3
Molecular Weight (g/mol) 217.27
MDL Number MFCD00004140
SMILES NC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34
Synonym 1-aminopyrene,1-pyrenamine,3-aminopyrene,pyrene, amino,pyren-1-ylamine,aminopyrene,pyrenamine,alpha-aminopyrene,unii-luw9eo1681,ccris 760
IUPAC Name pyren-1-amine
InChI Key YZVWKHVRBDQPMQ-UHFFFAOYSA-N
Molecular Formula C16H11N
4,105
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3-Phenoxypropionic acid, 98+%

CAS: 7170-38-9 Molecular Formula: C9H9O3 Molecular Weight (g/mol): 165.17 MDL Number: MFCD00002769 InChI Key: BUSOTUQRURCMCM-UHFFFAOYSA-M Synonym: 3-phenoxypropionic acid,propanoic acid, 3-phenoxy,beta-phenoxypropionic acid,3-penoxypropionic acid,3-phenoxy-propionic acid,3-phenoxypropionicacid,b-phenoxypropionate,3-phenoxypropionate,3-phenoxy-propanoate,beta-phenoxypropionate PubChem CID: 81596 IUPAC Name: 3-phenoxypropanoic acid SMILES: [O-]C(=O)CCOC1=CC=CC=C1

PubChem CID 81596
CAS 7170-38-9
Molecular Weight (g/mol) 165.17
MDL Number MFCD00002769
SMILES [O-]C(=O)CCOC1=CC=CC=C1
Synonym 3-phenoxypropionic acid,propanoic acid, 3-phenoxy,beta-phenoxypropionic acid,3-penoxypropionic acid,3-phenoxy-propionic acid,3-phenoxypropionicacid,b-phenoxypropionate,3-phenoxypropionate,3-phenoxy-propanoate,beta-phenoxypropionate
IUPAC Name 3-phenoxypropanoic acid
InChI Key BUSOTUQRURCMCM-UHFFFAOYSA-M
Molecular Formula C9H9O3
4,106
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3-Cyanobenzoic acid, 98+%

CAS: 1877-72-1 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00002486 InChI Key: GYLKKXHEIIFTJH-UHFFFAOYSA-N Synonym: m-cyanobenzoic acid,benzoic acid, 3-cyano,3-carboxybenzonitrile,3-cyano-benzoic acid,3-cyanobenzoicacid,benzoic acid, m-cyano,unii-d2gc692d78,3-cyano-benzoicacid,m-carboxybenzonitrile,3-cyano benzoic acid PubChem CID: 15875 IUPAC Name: 3-cyanobenzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C#N

PubChem CID 15875
CAS 1877-72-1
Molecular Weight (g/mol) 147.133
MDL Number MFCD00002486
SMILES C1=CC(=CC(=C1)C(=O)O)C#N
Synonym m-cyanobenzoic acid,benzoic acid, 3-cyano,3-carboxybenzonitrile,3-cyano-benzoic acid,3-cyanobenzoicacid,benzoic acid, m-cyano,unii-d2gc692d78,3-cyano-benzoicacid,m-carboxybenzonitrile,3-cyano benzoic acid
IUPAC Name 3-cyanobenzoic acid
InChI Key GYLKKXHEIIFTJH-UHFFFAOYSA-N
Molecular Formula C8H5NO2
4,107
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3-Bromo-2,6-difluorobenzaldehyde, 98%

CAS: 398456-82-1 Molecular Formula: C7H3BrF2O Molecular Weight (g/mol): 221.001 MDL Number: MFCD08282773 InChI Key: OXBHKEYDKAWFLS-UHFFFAOYSA-N PubChem CID: 22139701 IUPAC Name: 3-bromo-2,6-difluorobenzaldehyde SMILES: C1=CC(=C(C(=C1F)C=O)F)Br

PubChem CID 22139701
CAS 398456-82-1
Molecular Weight (g/mol) 221.001
MDL Number MFCD08282773
SMILES C1=CC(=C(C(=C1F)C=O)F)Br
IUPAC Name 3-bromo-2,6-difluorobenzaldehyde
InChI Key OXBHKEYDKAWFLS-UHFFFAOYSA-N
Molecular Formula C7H3BrF2O
4,108

4-(1H-1,2,4-Triazol-1-ylmethyl)benzaldehyde 97+%, Thermo Scientific™

CAS: 859850-94-5 Molecular Formula: C10H9N3O Molecular Weight (g/mol): 187.202 InChI Key: XEPIORKIFKJATD-UHFFFAOYSA-N Synonym: 4-1h-1,2,4-triazol-1-ylmethyl benzaldehyde,4-1,2,4-triazol-1-ylmethyl benzaldehyde,4-1,2,4-triazolylmethyl benzaldehyde,4-1h-1,2,4-triazol-1-yl methyl benzaldehyde,benzaldehyde,4-1h-1,2,4-triazol-1-ylmethyl PubChem CID: 7164655 IUPAC Name: 4-(1,2,4-triazol-1-ylmethyl)benzaldehyde SMILES: C1=CC(=CC=C1CN2C=NC=N2)C=O

PubChem CID 7164655
CAS 859850-94-5
Molecular Weight (g/mol) 187.202
SMILES C1=CC(=CC=C1CN2C=NC=N2)C=O
Synonym 4-1h-1,2,4-triazol-1-ylmethyl benzaldehyde,4-1,2,4-triazol-1-ylmethyl benzaldehyde,4-1,2,4-triazolylmethyl benzaldehyde,4-1h-1,2,4-triazol-1-yl methyl benzaldehyde,benzaldehyde,4-1h-1,2,4-triazol-1-ylmethyl
IUPAC Name 4-(1,2,4-triazol-1-ylmethyl)benzaldehyde
InChI Key XEPIORKIFKJATD-UHFFFAOYSA-N
Molecular Formula C10H9N3O
4,109
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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
4,110
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4-Cyanobenzaldehyde, 98%

CAS: 105-07-7 Molecular Formula: C8H5NO Molecular Weight (g/mol): 131.13 MDL Number: MFCD00003376 InChI Key: WZWIQYMTQZCSKI-UHFFFAOYSA-N Synonym: 4-cyanobenzaldehyde,benzonitrile, 4-formyl,p-cyanobenzaldehyde,p-formylbenzonitrile,benzaldehyde, p-cyano,benzonitrile, p-formyl,usaf kf-1,terephthalaldehydonitrile,p-cyanobenzenecarboxaldehyde,4-formyl-benzonitrile PubChem CID: 66042 IUPAC Name: 4-formylbenzonitrile SMILES: O=CC1=CC=C(C=C1)C#N

PubChem CID 66042
CAS 105-07-7
Molecular Weight (g/mol) 131.13
MDL Number MFCD00003376
SMILES O=CC1=CC=C(C=C1)C#N
Synonym 4-cyanobenzaldehyde,benzonitrile, 4-formyl,p-cyanobenzaldehyde,p-formylbenzonitrile,benzaldehyde, p-cyano,benzonitrile, p-formyl,usaf kf-1,terephthalaldehydonitrile,p-cyanobenzenecarboxaldehyde,4-formyl-benzonitrile
IUPAC Name 4-formylbenzonitrile
InChI Key WZWIQYMTQZCSKI-UHFFFAOYSA-N
Molecular Formula C8H5NO