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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 (67,766)
Phenols (13,514)
Naphthalenes (5,075)
Fluorenes (1,235)
Unsubstituted Phenols (1,166)
Thiophenols (617)
Phenol esters (564)
Anthracenes (413)
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Tetralins (327)
Indanes (313)
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Ellagic acids and derivatives (33)
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Pentacenequinones (16)
Acenaphthylenes (15)
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1-hydroxylamino 2-unsubstituted benzenoids (6)

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2,131 – 2,145 of 78,691 results
2,131

4-Bromobiphenyl, 98+%

CAS: 92-66-0 Molecular Formula: C12H9Br Molecular Weight (g/mol): 233.108 MDL Number: MFCD00000100 InChI Key: PKJBWOWQJHHAHG-UHFFFAOYSA-N Synonym: 4-bromobiphenyl,p-bromobiphenyl,4-bromo-1,1'-biphenyl,4-bromodiphenyl,1,1'-biphenyl, 4-bromo,4-biphenyl bromide,p-bromodiphenyl,biphenyl, 4-bromo,4-bromo-biphenyl,p-phenylbromobenzene PubChem CID: 7101 IUPAC Name: 1-bromo-4-phenylbenzene SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)Br

PubChem CID 7101
CAS 92-66-0
Molecular Weight (g/mol) 233.108
MDL Number MFCD00000100
SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)Br
Synonym 4-bromobiphenyl,p-bromobiphenyl,4-bromo-1,1'-biphenyl,4-bromodiphenyl,1,1'-biphenyl, 4-bromo,4-biphenyl bromide,p-bromodiphenyl,biphenyl, 4-bromo,4-bromo-biphenyl,p-phenylbromobenzene
IUPAC Name 1-bromo-4-phenylbenzene
InChI Key PKJBWOWQJHHAHG-UHFFFAOYSA-N
Molecular Formula C12H9Br
2,132

3-(4-Hydroxyphenyl)propionitrile, 98%

CAS: 17362-17-3 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00016492 InChI Key: KDMJGLYRWRHKJS-UHFFFAOYSA-N Synonym: 3-4-hydroxyphenyl propionitrile,3-4-hydroxyphenyl propanenitrile,benzenepropanenitrile, 4-hydroxy,3-p-hydroxyphenyl propiononitrile,3-4-hydroxy-phenyl-propionitrile,.beta.-4-hydroxyphenyl propionitrile,pubchem13636,acmc-1bvt5,4-hydroxyhydrocinnamonitrile,4-hydroxyphenylpropionitrile PubChem CID: 87079 IUPAC Name: 3-(4-hydroxyphenyl)propanenitrile SMILES: OC1=CC=C(CCC#N)C=C1

PubChem CID 87079
CAS 17362-17-3
Molecular Weight (g/mol) 147.18
MDL Number MFCD00016492
SMILES OC1=CC=C(CCC#N)C=C1
Synonym 3-4-hydroxyphenyl propionitrile,3-4-hydroxyphenyl propanenitrile,benzenepropanenitrile, 4-hydroxy,3-p-hydroxyphenyl propiononitrile,3-4-hydroxy-phenyl-propionitrile,.beta.-4-hydroxyphenyl propionitrile,pubchem13636,acmc-1bvt5,4-hydroxyhydrocinnamonitrile,4-hydroxyphenylpropionitrile
IUPAC Name 3-(4-hydroxyphenyl)propanenitrile
InChI Key KDMJGLYRWRHKJS-UHFFFAOYSA-N
Molecular Formula C9H9NO
2,133

1,3,5-Trifluoro-2,4,6-triiodobenzene, 97%

CAS: 84322-56-5 Molecular Formula: C6F3I3 Molecular Weight (g/mol): 509.78 InChI Key: NTAZOPPTLZSXQH-UHFFFAOYSA-N Synonym: 1,3,5-trifluoro-2,4,6-triiodo-benzene,1,3,5-trilfluoro-2,4,6-triiodobenzene,benzene,1,3,5-trifluoro-2,4,6-triiodo,pubchem10637,1,3,5-trifluoro-2,4,1,3,5-triiodotrifluorobenzene,1,3,5-trifluoro-2,4,6-triiodob,benzene, 1,3,5-trifluoro-2,4,6-triiodo PubChem CID: 3852430 IUPAC Name: 1,3,5-trifluoro-2,4,6-triiodobenzene SMILES: C1(=C(C(=C(C(=C1I)F)I)F)I)F

PubChem CID 3852430
CAS 84322-56-5
Molecular Weight (g/mol) 509.78
SMILES C1(=C(C(=C(C(=C1I)F)I)F)I)F
Synonym 1,3,5-trifluoro-2,4,6-triiodo-benzene,1,3,5-trilfluoro-2,4,6-triiodobenzene,benzene,1,3,5-trifluoro-2,4,6-triiodo,pubchem10637,1,3,5-trifluoro-2,4,1,3,5-triiodotrifluorobenzene,1,3,5-trifluoro-2,4,6-triiodob,benzene, 1,3,5-trifluoro-2,4,6-triiodo
IUPAC Name 1,3,5-trifluoro-2,4,6-triiodobenzene
InChI Key NTAZOPPTLZSXQH-UHFFFAOYSA-N
Molecular Formula C6F3I3
2,134

1-Bromo-4-chloro-2-nitrobenzene, 98%

CAS: 41513-04-6 Molecular Formula: C6H3BrClNO2 Molecular Weight (g/mol): 236.449 MDL Number: MFCD00024320 InChI Key: UKTIMFAJRPSNGR-UHFFFAOYSA-N Synonym: 2-bromo-5-chloronitrobenzene,benzene, 1-bromo-4-chloro-2-nitro,4-bromo-3-nitrochlorobenzene,3-chloro-6-bromonitrobenzene,pubchem3593,acmc-209jkn,1-bromo-4-chloronitrobenzene,ksc490m7r,2-bromo-5-chloro-nitrobenzene,bromo-4-chloro-2-nitrobenzene PubChem CID: 2794904 IUPAC Name: 1-bromo-4-chloro-2-nitrobenzene SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])Br

PubChem CID 2794904
CAS 41513-04-6
Molecular Weight (g/mol) 236.449
MDL Number MFCD00024320
SMILES C1=CC(=C(C=C1Cl)[N+](=O)[O-])Br
Synonym 2-bromo-5-chloronitrobenzene,benzene, 1-bromo-4-chloro-2-nitro,4-bromo-3-nitrochlorobenzene,3-chloro-6-bromonitrobenzene,pubchem3593,acmc-209jkn,1-bromo-4-chloronitrobenzene,ksc490m7r,2-bromo-5-chloro-nitrobenzene,bromo-4-chloro-2-nitrobenzene
IUPAC Name 1-bromo-4-chloro-2-nitrobenzene
InChI Key UKTIMFAJRPSNGR-UHFFFAOYSA-N
Molecular Formula C6H3BrClNO2
2,135

2'-Methylacetanilide, 98+%

CAS: 120-66-1 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.193 MDL Number: MFCD00014961 InChI Key: BPEXTIMJLDWDTL-UHFFFAOYSA-N Synonym: o-acetotoluidide,2'-methylacetanilide,n-o-tolyl acetamide,n-2-methylphenyl acetamide,acetyl-o-toluidine,n-acetyl-o-toluidine,o-acetotoluide,acetamide, n-2-methylphenyl,o-methylacetanilide,n-o-tolylacetamide PubChem CID: 8443 IUPAC Name: N-(2-methylphenyl)acetamide SMILES: CC1=CC=CC=C1NC(=O)C

PubChem CID 8443
CAS 120-66-1
Molecular Weight (g/mol) 149.193
MDL Number MFCD00014961
SMILES CC1=CC=CC=C1NC(=O)C
Synonym o-acetotoluidide,2'-methylacetanilide,n-o-tolyl acetamide,n-2-methylphenyl acetamide,acetyl-o-toluidine,n-acetyl-o-toluidine,o-acetotoluide,acetamide, n-2-methylphenyl,o-methylacetanilide,n-o-tolylacetamide
IUPAC Name N-(2-methylphenyl)acetamide
InChI Key BPEXTIMJLDWDTL-UHFFFAOYSA-N
Molecular Formula C9H11NO
2,136

4-Fluoro-3-methylphenylboronic acid, 98%

CAS: 139911-27-6 Molecular Formula: C7H8BFO2 Molecular Weight (g/mol): 153.95 MDL Number: MFCD01863527 InChI Key: JCIJCHSRVPSOML-UHFFFAOYSA-N Synonym: 3-methyl-4-fluorophenylboronic acid,4-fluoro-3-methylphenyl boronic acid,4-fluoro-3-methylbenzeneboronic acid,4-fluoro-m-tolylboronic acid,4-fluoro-3-methylphenylboronicacid,5-borono-2-fluorotoluene,boronic acid, 4-fluoro-3-methylphenyl,pubchem5146,acmc-209cjo PubChem CID: 2774580 IUPAC Name: (4-fluoro-3-methylphenyl)boronic acid SMILES: CC1=CC(=CC=C1F)B(O)O

PubChem CID 2774580
CAS 139911-27-6
Molecular Weight (g/mol) 153.95
MDL Number MFCD01863527
SMILES CC1=CC(=CC=C1F)B(O)O
Synonym 3-methyl-4-fluorophenylboronic acid,4-fluoro-3-methylphenyl boronic acid,4-fluoro-3-methylbenzeneboronic acid,4-fluoro-m-tolylboronic acid,4-fluoro-3-methylphenylboronicacid,5-borono-2-fluorotoluene,boronic acid, 4-fluoro-3-methylphenyl,pubchem5146,acmc-209cjo
IUPAC Name (4-fluoro-3-methylphenyl)boronic acid
InChI Key JCIJCHSRVPSOML-UHFFFAOYSA-N
Molecular Formula C7H8BFO2
2,137

4-Methylbenzyl bromide, 98%

CAS: 104-81-4 Molecular Formula: C8H9Br Molecular Weight (g/mol): 185.064 MDL Number: MFCD00000181 InChI Key: WZRKSPFYXUXINF-UHFFFAOYSA-N Synonym: 4-methylbenzyl bromide,1-bromomethyl-4-methylbenzene,p-xylyl bromide,p-methylbenzyl bromide,alpha-bromo-p-xylene,benzene, 1-bromomethyl-4-methyl,4-bromomethyl toluene,p-bromomethyl toluene,alpha-bromo-p-xylol,1-bromomethyl-4-methyl-benzene PubChem CID: 7721 IUPAC Name: 1-(bromomethyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)CBr

PubChem CID 7721
CAS 104-81-4
Molecular Weight (g/mol) 185.064
MDL Number MFCD00000181
SMILES CC1=CC=C(C=C1)CBr
Synonym 4-methylbenzyl bromide,1-bromomethyl-4-methylbenzene,p-xylyl bromide,p-methylbenzyl bromide,alpha-bromo-p-xylene,benzene, 1-bromomethyl-4-methyl,4-bromomethyl toluene,p-bromomethyl toluene,alpha-bromo-p-xylol,1-bromomethyl-4-methyl-benzene
IUPAC Name 1-(bromomethyl)-4-methylbenzene
InChI Key WZRKSPFYXUXINF-UHFFFAOYSA-N
Molecular Formula C8H9Br
2,138

p-Toluic hydrazide, 98%, Thermo Scientific Chemicals

CAS: 3619-22-5 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 MDL Number: MFCD00007607 InChI Key: MFFVZXOPRXMVET-UHFFFAOYSA-N Synonym: p-toluic hydrazide,p-toluic acid hydrazide,p-toluoylhydrazine,4-methylbenzoylhydrazine,p-toluic acid, hydrazide,4-methylbenzoic acid hydrazide,p-methylbenzohydrazide,p-toluohydrazide,p-methylbenzoylhydrazine,4-toluic acid hydrazide PubChem CID: 77174 IUPAC Name: 4-methylbenzohydrazide SMILES: CC1=CC=C(C=C1)C(=O)NN

PubChem CID 77174
CAS 3619-22-5
Molecular Weight (g/mol) 150.18
MDL Number MFCD00007607
SMILES CC1=CC=C(C=C1)C(=O)NN
Synonym p-toluic hydrazide,p-toluic acid hydrazide,p-toluoylhydrazine,4-methylbenzoylhydrazine,p-toluic acid, hydrazide,4-methylbenzoic acid hydrazide,p-methylbenzohydrazide,p-toluohydrazide,p-methylbenzoylhydrazine,4-toluic acid hydrazide
IUPAC Name 4-methylbenzohydrazide
InChI Key MFFVZXOPRXMVET-UHFFFAOYSA-N
Molecular Formula C8H10N2O
2,139

2,6-Dimethoxy-3-nitrobenzoic acid, 97%

CAS: 55776-17-5 Molecular Formula: C9H9NO6 Molecular Weight (g/mol): 227.172 MDL Number: MFCD00017324 InChI Key: YIKBQFPTPKEFSM-UHFFFAOYSA-N Synonym: 2,6-dimethoxy-3-nitro-benzoic acid,acmc-20ao8d,benzoic acid, 2,6-dimethoxy-3-nitro PubChem CID: 3085094 IUPAC Name: 2,6-dimethoxy-3-nitrobenzoic acid SMILES: COC1=C(C(=C(C=C1)[N+](=O)[O-])OC)C(=O)O

PubChem CID 3085094
CAS 55776-17-5
Molecular Weight (g/mol) 227.172
MDL Number MFCD00017324
SMILES COC1=C(C(=C(C=C1)[N+](=O)[O-])OC)C(=O)O
Synonym 2,6-dimethoxy-3-nitro-benzoic acid,acmc-20ao8d,benzoic acid, 2,6-dimethoxy-3-nitro
IUPAC Name 2,6-dimethoxy-3-nitrobenzoic acid
InChI Key YIKBQFPTPKEFSM-UHFFFAOYSA-N
Molecular Formula C9H9NO6
2,140

4-Nonylphenol, 99%, mixture of isomers

CAS: 84852-15-3 MDL Number: MFCD00002396 InChI Key: SNQQPOLDUKLAAF-UHFFFAOYSA-N Synonym: phenol, 2-nonyl,nonyl phenol,o-nonylphenol,nonyl,phenol,nonyl,2-n-nonyl-phenol,ortho-n-nonyl-phenol,acmc-209t6o,bidd:er0079,nonylphenol, mixture of isomers PubChem CID: 67296 IUPAC Name: 2-nonylphenol SMILES: CCCCCCCCCC1=CC=CC=C1O

PubChem CID 67296
CAS 84852-15-3
MDL Number MFCD00002396
SMILES CCCCCCCCCC1=CC=CC=C1O
Synonym phenol, 2-nonyl,nonyl phenol,o-nonylphenol,nonyl,phenol,nonyl,2-n-nonyl-phenol,ortho-n-nonyl-phenol,acmc-209t6o,bidd:er0079,nonylphenol, mixture of isomers
IUPAC Name 2-nonylphenol
InChI Key SNQQPOLDUKLAAF-UHFFFAOYSA-N
2,141

2-Chloro-3-nitrobenzotrifluoride, 98%

CAS: 39974-35-1 Molecular Formula: C7H3ClF3NO2 Molecular Weight (g/mol): 225.55 MDL Number: MFCD14525509 InChI Key: TWABRHQBRWLSSE-UHFFFAOYSA-N PubChem CID: 3016126 IUPAC Name: 2-chloro-1-nitro-3-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC=CC(=C1Cl)C(F)(F)F

PubChem CID 3016126
CAS 39974-35-1
Molecular Weight (g/mol) 225.55
MDL Number MFCD14525509
SMILES [O-][N+](=O)C1=CC=CC(=C1Cl)C(F)(F)F
IUPAC Name 2-chloro-1-nitro-3-(trifluoromethyl)benzene
InChI Key TWABRHQBRWLSSE-UHFFFAOYSA-N
Molecular Formula C7H3ClF3NO2
2,142

p-Aminobenzoic Acid, 99+%, Free Acid, MP Biomedicals™

CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O

PubChem CID 978
CAS 150-13-0
Molecular Weight (g/mol) 137.14
ChEBI CHEBI:30753
MDL Number MFCD00007894
SMILES NC1=CC=C(C=C1)C(O)=O
Synonym p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino
IUPAC Name 4-aminobenzoic acid
InChI Key ALYNCZNDIQEVRV-UHFFFAOYSA-N
Molecular Formula C7H7NO2
2,143

N-α-Benzoyl-L-Arginine p-Nitroanilide Hydrochloride, MP Biomedicals™

CAS: 21653-40-7 Molecular Formula: C19H23ClN6O4 Molecular Weight (g/mol): 434.881 MDL Number: MFCD00063682 InChI Key: DEOKFPFLXFNAON-NTISSMGPSA-N Synonym: bz-arg-pna.hcl,s-n-5-guanidino-1-4-nitrophenyl amino-1-oxopentan-2-yl benzamide hydrochloride,nalpha-benzoyl-l-arginine 4-nitroanilide hydrochloride,bani,s-5-amidinoamino-2-benzoylamino-n-4-nitrophenyl valeramide monohydrochloride,l-bapna,2s-5-carbamimidamido-n-4-nitrophenyl-2-phenylformamido pentanamide hydrochloride,bz-arg-pna-hcl,bz-arg-pna hcl,bz-arg-pna . hcl PubChem CID: 16219022 IUPAC Name: N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide;hydrochloride SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl

PubChem CID 16219022
CAS 21653-40-7
Molecular Weight (g/mol) 434.881
MDL Number MFCD00063682
SMILES C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl
Synonym bz-arg-pna.hcl,s-n-5-guanidino-1-4-nitrophenyl amino-1-oxopentan-2-yl benzamide hydrochloride,nalpha-benzoyl-l-arginine 4-nitroanilide hydrochloride,bani,s-5-amidinoamino-2-benzoylamino-n-4-nitrophenyl valeramide monohydrochloride,l-bapna,2s-5-carbamimidamido-n-4-nitrophenyl-2-phenylformamido pentanamide hydrochloride,bz-arg-pna-hcl,bz-arg-pna hcl,bz-arg-pna . hcl
IUPAC Name N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide;hydrochloride
InChI Key DEOKFPFLXFNAON-NTISSMGPSA-N
Molecular Formula C19H23ClN6O4
2,144

Methyl 3-aminosalicylate, 97%

CAS: 35748-34-6 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD09842614 InChI Key: OMWQHVRUXLRZRC-UHFFFAOYSA-N Synonym: 3-amino-2-hydroxybenzoic acid methyl ester,benzoic acid, 3-amino-2-hydroxy-, methyl ester,methyl 3-aminosalicylate,methyl3-amino-2-hydroxybenzoate,2-amino-6-methoxycarbonyl phenol,2-hydroxy-3-methoxycarbonyl aniline,methyl-m-aminosalicylat,acmc-209wuz,methyl-3-aminosalicylate,aminohydroxy-benzoic methyl ester PubChem CID: 12782444 IUPAC Name: methyl 3-amino-2-hydroxybenzoate SMILES: COC(=O)C1=C(O)C(N)=CC=C1

PubChem CID 12782444
CAS 35748-34-6
Molecular Weight (g/mol) 167.16
MDL Number MFCD09842614
SMILES COC(=O)C1=C(O)C(N)=CC=C1
Synonym 3-amino-2-hydroxybenzoic acid methyl ester,benzoic acid, 3-amino-2-hydroxy-, methyl ester,methyl 3-aminosalicylate,methyl3-amino-2-hydroxybenzoate,2-amino-6-methoxycarbonyl phenol,2-hydroxy-3-methoxycarbonyl aniline,methyl-m-aminosalicylat,acmc-209wuz,methyl-3-aminosalicylate,aminohydroxy-benzoic methyl ester
IUPAC Name methyl 3-amino-2-hydroxybenzoate
InChI Key OMWQHVRUXLRZRC-UHFFFAOYSA-N
Molecular Formula C8H9NO3
2,145

Methyl 2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate, 97%, Thermo Scientific Chemicals

CAS: 59604-96-5 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.24 MDL Number: MFCD09258894 InChI Key: FGZPUQMMDVJQQN-UHFFFAOYSA-N Synonym: 6-hydroxytetralin-5-carboxylic acid methyl ester,methyl 2-hydroxy-5,6,7,8-tetrahydro-1-naphthoate,2-hydroxy-5,6,7,8-tetrahydro-naphthalene-1-carboxylic acid methyl ester,2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid methyl ester PubChem CID: 11600901 IUPAC Name: methyl 2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate SMILES: COC(=O)C1=C(O)C=CC2=C1CCCC2

PubChem CID 11600901
CAS 59604-96-5
Molecular Weight (g/mol) 206.24
MDL Number MFCD09258894
SMILES COC(=O)C1=C(O)C=CC2=C1CCCC2
Synonym 6-hydroxytetralin-5-carboxylic acid methyl ester,methyl 2-hydroxy-5,6,7,8-tetrahydro-1-naphthoate,2-hydroxy-5,6,7,8-tetrahydro-naphthalene-1-carboxylic acid methyl ester,2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid methyl ester
IUPAC Name methyl 2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate
InChI Key FGZPUQMMDVJQQN-UHFFFAOYSA-N
Molecular Formula C12H14O3