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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 (1,295)
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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5,761 – 5,775 of 159,121 results
5,761
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5-Nitrovanillin, 97%

CAS: 6635-20-7 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00007118 InChI Key: ZEHYRTJBFMZHCY-UHFFFAOYSA-N Synonym: 5-nitrovanillin,4-hydroxy-3-methoxy-5-nitrobenzaldehyde,vanillin, 5-nitro,benzaldehyde, 4-hydroxy-3-methoxy-5-nitro,3-methoxy-4-hydroxy-5-nitrobenzaldhyde,3-methoxy-4-hydroxy-5-nitrobenzaldehyde,4-hydroxy-3-methoxy-5-nitro-benzaldehyde,4-hydroxy-3-nitro-5-methoxybenzaldehyde,4-hydroxy-5-methoxy-3-nitrobenzaldehyde,5-nitrovanilline PubChem CID: 81134 ChEBI: CHEBI:48385 SMILES: COC1=CC(=CC(=C1O)[N+](=O)[O-])C=O

PubChem CID 81134
CAS 6635-20-7
Molecular Weight (g/mol) 197.146
ChEBI CHEBI:48385
MDL Number MFCD00007118
SMILES COC1=CC(=CC(=C1O)[N+](=O)[O-])C=O
Synonym 5-nitrovanillin,4-hydroxy-3-methoxy-5-nitrobenzaldehyde,vanillin, 5-nitro,benzaldehyde, 4-hydroxy-3-methoxy-5-nitro,3-methoxy-4-hydroxy-5-nitrobenzaldhyde,3-methoxy-4-hydroxy-5-nitrobenzaldehyde,4-hydroxy-3-methoxy-5-nitro-benzaldehyde,4-hydroxy-3-nitro-5-methoxybenzaldehyde,4-hydroxy-5-methoxy-3-nitrobenzaldehyde,5-nitrovanilline
InChI Key ZEHYRTJBFMZHCY-UHFFFAOYSA-N
Molecular Formula C8H7NO5
5,762
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Cyclohexyltriphenylphosphonium bromide, 98+%

CAS: 7333-51-9 Molecular Formula: C24H26BrP Molecular Weight (g/mol): 425.35 MDL Number: MFCD00031667 InChI Key: QRAKRDZMIONMRZ-UHFFFAOYSA-M Synonym: cyclohexyltriphenylphosphonium bromide,cyclohexyl triphenylphosphonium bromide,cyclohexyltriphenylphosphanium bromide,cyclohexyl triphenyl phosphanium bromide,acmc-20alcd,cyclohexyltriphenylphosphoniumbromide,cyclohexyl triphenyl phosphonium bromide PubChem CID: 2724861 SMILES: [Br-].C1CCC(CC1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 2724861
CAS 7333-51-9
Molecular Weight (g/mol) 425.35
MDL Number MFCD00031667
SMILES [Br-].C1CCC(CC1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym cyclohexyltriphenylphosphonium bromide,cyclohexyl triphenylphosphonium bromide,cyclohexyltriphenylphosphanium bromide,cyclohexyl triphenyl phosphanium bromide,acmc-20alcd,cyclohexyltriphenylphosphoniumbromide,cyclohexyl triphenyl phosphonium bromide
InChI Key QRAKRDZMIONMRZ-UHFFFAOYSA-M
Molecular Formula C24H26BrP
5,763
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Homophthalic acid, 99%

CAS: 89-51-0 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00004326 InChI Key: ZHQLTKAVLJKSKR-UHFFFAOYSA-N Synonym: homophthalic acid,2-carboxymethyl benzoic acid,benzeneacetic acid, 2-carboxy,2-carboxyphenylacetic acid,2-carboxybenzeneacetic acid,alpha-carboxy-o-toluic acid,o-carboxymethyl benzoic acid,2-carboxyphenyl acetic acid,o-toluic acid, alpha-carboxy,toluene-alpha,2-dicarboxylic acid PubChem CID: 66643 IUPAC Name: 2-(carboxymethyl)benzoic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)C(=O)O

PubChem CID 66643
CAS 89-51-0
Molecular Weight (g/mol) 180.159
MDL Number MFCD00004326
SMILES C1=CC=C(C(=C1)CC(=O)O)C(=O)O
Synonym homophthalic acid,2-carboxymethyl benzoic acid,benzeneacetic acid, 2-carboxy,2-carboxyphenylacetic acid,2-carboxybenzeneacetic acid,alpha-carboxy-o-toluic acid,o-carboxymethyl benzoic acid,2-carboxyphenyl acetic acid,o-toluic acid, alpha-carboxy,toluene-alpha,2-dicarboxylic acid
IUPAC Name 2-(carboxymethyl)benzoic acid
InChI Key ZHQLTKAVLJKSKR-UHFFFAOYSA-N
Molecular Formula C9H8O4
5,764
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4-Bromo-3-methylbenzoic acid, 98%

CAS: 7697-28-1 Molecular Formula: C8H6BrO2 Molecular Weight (g/mol): 214.04 MDL Number: MFCD00039526 InChI Key: KWVXDZLVCISXIB-UHFFFAOYSA-M Synonym: 4-bromo-m-toluic acid,4-bromo-3-methyl-benzoic acid,4-bromo-3-methylbenzoicacid,3-methyl-4-bromobenzoic acid,4-bromo-3-methyl benzoic acid,benzoic acid, 4-bromo-3-methyl,pubchem3807,4bromo-3-methylbenzoic acid,4-bromo-5-methylbenzoic acid,ksc379g0b PubChem CID: 82131 IUPAC Name: 4-bromo-3-methylbenzoic acid SMILES: CC1=CC(=CC=C1Br)C([O-])=O

PubChem CID 82131
CAS 7697-28-1
Molecular Weight (g/mol) 214.04
MDL Number MFCD00039526
SMILES CC1=CC(=CC=C1Br)C([O-])=O
Synonym 4-bromo-m-toluic acid,4-bromo-3-methyl-benzoic acid,4-bromo-3-methylbenzoicacid,3-methyl-4-bromobenzoic acid,4-bromo-3-methyl benzoic acid,benzoic acid, 4-bromo-3-methyl,pubchem3807,4bromo-3-methylbenzoic acid,4-bromo-5-methylbenzoic acid,ksc379g0b
IUPAC Name 4-bromo-3-methylbenzoic acid
InChI Key KWVXDZLVCISXIB-UHFFFAOYSA-M
Molecular Formula C8H6BrO2
5,765
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3-Methoxyphenylacetonitrile, 99%

CAS: 19924-43-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00001910 InChI Key: LXKNAUOWEJWGTE-UHFFFAOYSA-N Synonym: 3-methoxyphenyl acetonitrile,2-3-methoxyphenyl acetonitrile,3-methoxyphenylacetonitrile,3-methoxybenzyl cyanide,m-methoxyphenyl acetonitrile,3-cyanomethyl anisole,benzeneacetonitrile, 3-methoxy,3-methoxybenzeneacetonitrile,m-methoxybenzyl cyanide,2-3-methoxyphenyl ethanenitrile PubChem CID: 88310 IUPAC Name: 2-(3-methoxyphenyl)acetonitrile SMILES: COC1=CC=CC(=C1)CC#N

PubChem CID 88310
CAS 19924-43-7
Molecular Weight (g/mol) 147.177
MDL Number MFCD00001910
SMILES COC1=CC=CC(=C1)CC#N
Synonym 3-methoxyphenyl acetonitrile,2-3-methoxyphenyl acetonitrile,3-methoxyphenylacetonitrile,3-methoxybenzyl cyanide,m-methoxyphenyl acetonitrile,3-cyanomethyl anisole,benzeneacetonitrile, 3-methoxy,3-methoxybenzeneacetonitrile,m-methoxybenzyl cyanide,2-3-methoxyphenyl ethanenitrile
IUPAC Name 2-(3-methoxyphenyl)acetonitrile
InChI Key LXKNAUOWEJWGTE-UHFFFAOYSA-N
Molecular Formula C9H9NO
5,766
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3-Nitrobenzyl bromide, 98+%

CAS: 3958-57-4 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00007271 InChI Key: LNWXALCHPJANMJ-UHFFFAOYSA-N Synonym: 3-nitrobenzyl bromide,1-bromomethyl-3-nitrobenzene,m-nitrobenzyl bromide,benzene, 1-bromomethyl-3-nitro,alpha-bromo-3-nitrotoluene,m-bromomethyl nitrobenzene,alpha-bromo-m-nitrotoluene,m-nitro-alpha-bromotoluene,3-nitrobenzylbromide,toluene, alpha-bromo-m-nitro PubChem CID: 77568 IUPAC Name: 1-(bromomethyl)-3-nitrobenzene SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CBr

PubChem CID 77568
CAS 3958-57-4
Molecular Weight (g/mol) 216.034
MDL Number MFCD00007271
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])CBr
Synonym 3-nitrobenzyl bromide,1-bromomethyl-3-nitrobenzene,m-nitrobenzyl bromide,benzene, 1-bromomethyl-3-nitro,alpha-bromo-3-nitrotoluene,m-bromomethyl nitrobenzene,alpha-bromo-m-nitrotoluene,m-nitro-alpha-bromotoluene,3-nitrobenzylbromide,toluene, alpha-bromo-m-nitro
IUPAC Name 1-(bromomethyl)-3-nitrobenzene
InChI Key LNWXALCHPJANMJ-UHFFFAOYSA-N
Molecular Formula C7H6BrNO2
5,767
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4-Bromo-2-methyl-6-nitroaniline, 97%

CAS: 77811-44-0 Molecular Formula: C7H7BrN2O2 Molecular Weight (g/mol): 231.049 MDL Number: MFCD00052919 InChI Key: ZXFVKFUXKFPUQJ-UHFFFAOYSA-N Synonym: 4-bromo-2-methyl-6-nitro-phenylamine,4-bromo-2-methyl-6-nitrobenzenamine,2-amino-5-bromo-3-nitrotoluene,4-bromo-6-nitro-o-toluidine,benzenamine, 4-bromo-2-methyl-6-nitro,4-bromo-2-methyl-6-nitrophenylamine,4-bromo-2-methyl-6-nitro-aniline,pubchem3813,acmc-1bg8u,ksc496e7t PubChem CID: 522679 IUPAC Name: 4-bromo-2-methyl-6-nitroaniline SMILES: CC1=CC(=CC(=C1N)[N+](=O)[O-])Br

PubChem CID 522679
CAS 77811-44-0
Molecular Weight (g/mol) 231.049
MDL Number MFCD00052919
SMILES CC1=CC(=CC(=C1N)[N+](=O)[O-])Br
Synonym 4-bromo-2-methyl-6-nitro-phenylamine,4-bromo-2-methyl-6-nitrobenzenamine,2-amino-5-bromo-3-nitrotoluene,4-bromo-6-nitro-o-toluidine,benzenamine, 4-bromo-2-methyl-6-nitro,4-bromo-2-methyl-6-nitrophenylamine,4-bromo-2-methyl-6-nitro-aniline,pubchem3813,acmc-1bg8u,ksc496e7t
IUPAC Name 4-bromo-2-methyl-6-nitroaniline
InChI Key ZXFVKFUXKFPUQJ-UHFFFAOYSA-N
Molecular Formula C7H7BrN2O2
5,768
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2-Hydroxy-3-methoxy-5-nitrobenzaldehyde, 98%

CAS: 17028-61-4 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.15 MDL Number: MFCD00017033 InChI Key: HGKHVFKBOHFYSS-UHFFFAOYSA-N PubChem CID: 307886 IUPAC Name: 2-hydroxy-3-methoxy-5-nitrobenzaldehyde SMILES: COC1=CC(=CC(C=O)=C1O)[N+]([O-])=O

PubChem CID 307886
CAS 17028-61-4
Molecular Weight (g/mol) 197.15
MDL Number MFCD00017033
SMILES COC1=CC(=CC(C=O)=C1O)[N+]([O-])=O
IUPAC Name 2-hydroxy-3-methoxy-5-nitrobenzaldehyde
InChI Key HGKHVFKBOHFYSS-UHFFFAOYSA-N
Molecular Formula C8H7NO5
5,769
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3,5-Dimethoxybenzoic acid, 99%

CAS: 1132-21-4 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002502 InChI Key: IWPZKOJSYQZABD-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-dimethoxy,unii-38my78eckk,3,5-dimethoxy benzoic acid,38my78eckk,pubchem3121,3,5-dimethoxybenzoicacid,acmc-1c4zl,3,5-dimethoxy-benzoic acid,ksc176m0p,benzoicacid, 3,5-dimethoxy PubChem CID: 14332 IUPAC Name: 3,5-dimethoxybenzoic acid SMILES: COC1=CC(=CC(OC)=C1)C(O)=O

PubChem CID 14332
CAS 1132-21-4
Molecular Weight (g/mol) 182.18
MDL Number MFCD00002502
SMILES COC1=CC(=CC(OC)=C1)C(O)=O
Synonym benzoic acid, 3,5-dimethoxy,unii-38my78eckk,3,5-dimethoxy benzoic acid,38my78eckk,pubchem3121,3,5-dimethoxybenzoicacid,acmc-1c4zl,3,5-dimethoxy-benzoic acid,ksc176m0p,benzoicacid, 3,5-dimethoxy
IUPAC Name 3,5-dimethoxybenzoic acid
InChI Key IWPZKOJSYQZABD-UHFFFAOYSA-N
Molecular Formula C9H10O4
5,770
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Fluorobenzene, 99%

CAS: 462-06-6 Molecular Formula: C6H5F Molecular Weight (g/mol): 96.10 MDL Number: MFCD00000280 InChI Key: PYLWMHQQBFSUBP-UHFFFAOYSA-N Synonym: benzene, fluoro,monofluorobenzene,phenyl fluoride,fluorbenzol,fluoro-benzene,4-fluorobenzene,unii-g3tsz68k12,fluoranylbenzene,fluorobenzenes,1,2,3,4,5-pentadeuterio-6-fluorobenzene PubChem CID: 10008 ChEBI: CHEBI:5115 IUPAC Name: fluorobenzene SMILES: FC1=CC=CC=C1

PubChem CID 10008
CAS 462-06-6
Molecular Weight (g/mol) 96.10
ChEBI CHEBI:5115
MDL Number MFCD00000280
SMILES FC1=CC=CC=C1
Synonym benzene, fluoro,monofluorobenzene,phenyl fluoride,fluorbenzol,fluoro-benzene,4-fluorobenzene,unii-g3tsz68k12,fluoranylbenzene,fluorobenzenes,1,2,3,4,5-pentadeuterio-6-fluorobenzene
IUPAC Name fluorobenzene
InChI Key PYLWMHQQBFSUBP-UHFFFAOYSA-N
Molecular Formula C6H5F
5,771
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2-Bromoterephthalic acid, 97%

CAS: 586-35-6 Molecular Formula: C8H5BrO4 Molecular Weight (g/mol): 245.028 MDL Number: MFCD00002403 InChI Key: QPBGNSFASPVGTP-UHFFFAOYSA-N Synonym: bromoterephthalic acid,2-bromobenzene-1,4-dicarboxylic acid,2-bromoterephthalicacid,2-bromo-terephthalic acid,2-bromo-1,4-benzenedicarboxylic acid,1,4-benzenedicarboxylic acid, 2-bromo,labotest-bb lt00454996,pubchem12798,2-bromo terephthalic acid,acmc-1aoy9 PubChem CID: 68513 IUPAC Name: 2-bromoterephthalic acid SMILES: C1=CC(=C(C=C1C(=O)O)Br)C(=O)O

PubChem CID 68513
CAS 586-35-6
Molecular Weight (g/mol) 245.028
MDL Number MFCD00002403
SMILES C1=CC(=C(C=C1C(=O)O)Br)C(=O)O
Synonym bromoterephthalic acid,2-bromobenzene-1,4-dicarboxylic acid,2-bromoterephthalicacid,2-bromo-terephthalic acid,2-bromo-1,4-benzenedicarboxylic acid,1,4-benzenedicarboxylic acid, 2-bromo,labotest-bb lt00454996,pubchem12798,2-bromo terephthalic acid,acmc-1aoy9
IUPAC Name 2-bromoterephthalic acid
InChI Key QPBGNSFASPVGTP-UHFFFAOYSA-N
Molecular Formula C8H5BrO4
5,773
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2,6-Dichlorophenol, 99%

CAS: 87-65-0 Molecular Formula: C6H4Cl2O Molecular Weight (g/mol): 163.00 MDL Number: MFCD00002176 InChI Key: HOLHYSJJBXSLMV-UHFFFAOYSA-N Synonym: phenol, 2,6-dichloro,2,6-dichlorfenol,2,6-dichlorphenol,rcra waste number u082,2,6-dichloro-phenol,2,6-dichlorfenol czech,unii-q7e9k52w7e,2,6 dichlorophenol,ccris 2511,2,6-dcp PubChem CID: 6899 ChEBI: CHEBI:28457 IUPAC Name: 2,6-dichlorophenol SMILES: OC1=C(Cl)C=CC=C1Cl

PubChem CID 6899
CAS 87-65-0
Molecular Weight (g/mol) 163.00
ChEBI CHEBI:28457
MDL Number MFCD00002176
SMILES OC1=C(Cl)C=CC=C1Cl
Synonym phenol, 2,6-dichloro,2,6-dichlorfenol,2,6-dichlorphenol,rcra waste number u082,2,6-dichloro-phenol,2,6-dichlorfenol czech,unii-q7e9k52w7e,2,6 dichlorophenol,ccris 2511,2,6-dcp
IUPAC Name 2,6-dichlorophenol
InChI Key HOLHYSJJBXSLMV-UHFFFAOYSA-N
Molecular Formula C6H4Cl2O
5,774
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1-n-Butyl-4-iodobenzene, 98%, Thermo Scientific Chemicals

CAS: 20651-67-6 Molecular Formula: C10H13I Molecular Weight (g/mol): 260.118 MDL Number: MFCD00051927 InChI Key: XILRUONFYBUYIE-UHFFFAOYSA-N Synonym: 1-4'-iodophenyl butane,4-n-butyliodobenzene,benzene, 1-butyl-4-iodo,1-n-butyl-4-iodobenzene,1-iodo-4-butylbenzene,4-iodo-n-butylbenzene,4-butyliodobenzene,p-iodo-n-butylbenzene,pubchem3969,4-n-amyliodobenzene PubChem CID: 2724607 IUPAC Name: 1-butyl-4-iodobenzene SMILES: CCCCC1=CC=C(C=C1)I

PubChem CID 2724607
CAS 20651-67-6
Molecular Weight (g/mol) 260.118
MDL Number MFCD00051927
SMILES CCCCC1=CC=C(C=C1)I
Synonym 1-4'-iodophenyl butane,4-n-butyliodobenzene,benzene, 1-butyl-4-iodo,1-n-butyl-4-iodobenzene,1-iodo-4-butylbenzene,4-iodo-n-butylbenzene,4-butyliodobenzene,p-iodo-n-butylbenzene,pubchem3969,4-n-amyliodobenzene
IUPAC Name 1-butyl-4-iodobenzene
InChI Key XILRUONFYBUYIE-UHFFFAOYSA-N
Molecular Formula C10H13I
5,775
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6-Nitroveratraldehyde, 96%

CAS: 20357-25-9 Molecular Formula: C9H9NO5 Molecular Weight (g/mol): 211.17 MDL Number: MFCD00007134 InChI Key: YWSPWKXREVSQCA-UHFFFAOYSA-N Synonym: 6-nitroveratraldehyde,dmnb,3,4-dimethoxy-6-nitrobenzaldehyde,4,5-dimethoxy-2-nitro-benzaldehyde,dna-pk inhibitor,benzaldehyde, 4,5-dimethoxy-2-nitro,2-nitro-4,5-dimethoxybenzaldehyde,dna-dependent protein kinase inhibitor,2-nitro-4,5-bis methyloxy benzaldehyde,pubchem8213 PubChem CID: 88505 IUPAC Name: 4,5-dimethoxy-2-nitrobenzaldehyde SMILES: COC1=CC(C=O)=C(C=C1OC)[N+]([O-])=O

PubChem CID 88505
CAS 20357-25-9
Molecular Weight (g/mol) 211.17
MDL Number MFCD00007134
SMILES COC1=CC(C=O)=C(C=C1OC)[N+]([O-])=O
Synonym 6-nitroveratraldehyde,dmnb,3,4-dimethoxy-6-nitrobenzaldehyde,4,5-dimethoxy-2-nitro-benzaldehyde,dna-pk inhibitor,benzaldehyde, 4,5-dimethoxy-2-nitro,2-nitro-4,5-dimethoxybenzaldehyde,dna-dependent protein kinase inhibitor,2-nitro-4,5-bis methyloxy benzaldehyde,pubchem8213
IUPAC Name 4,5-dimethoxy-2-nitrobenzaldehyde
InChI Key YWSPWKXREVSQCA-UHFFFAOYSA-N
Molecular Formula C9H9NO5