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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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4,381 – 4,395 of 159,106 results
4,381
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2-Methyl-3-nitrophenylacetic acid, 96%

CAS: 23876-15-5 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD07782132 InChI Key: LWIOFILTAJJDLA-UHFFFAOYSA-N Synonym: 2-methyl-3-nitrophenylacetic acid,2-methyl-3-nitrophenyl acetic acid,2-2-methyl-3-nitrophenyl acetic acid,2-methyl-3-nitro-benzeneacetic acid,3-nitro-o-tolyl acetic acid,benzeneacetic acid, 2-methyl-3-nitro,2-methyl-3-nitrophenylaceticacid,2-methyl-3-nitrobenzeneacetic acid,2-methyl-3-nitro phenyl acetic acid,pubchem18230 PubChem CID: 13530897 SMILES: CC1=C(C=CC=C1[N+](=O)[O-])CC(=O)O

PubChem CID 13530897
CAS 23876-15-5
Molecular Weight (g/mol) 195.174
MDL Number MFCD07782132
SMILES CC1=C(C=CC=C1[N+](=O)[O-])CC(=O)O
Synonym 2-methyl-3-nitrophenylacetic acid,2-methyl-3-nitrophenyl acetic acid,2-2-methyl-3-nitrophenyl acetic acid,2-methyl-3-nitro-benzeneacetic acid,3-nitro-o-tolyl acetic acid,benzeneacetic acid, 2-methyl-3-nitro,2-methyl-3-nitrophenylaceticacid,2-methyl-3-nitrobenzeneacetic acid,2-methyl-3-nitro phenyl acetic acid,pubchem18230
InChI Key LWIOFILTAJJDLA-UHFFFAOYSA-N
Molecular Formula C9H9NO4
4,382
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4-Methyl-2-nitroaniline, 98+%

CAS: 89-62-3 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007907 InChI Key: DLURHXYXQYMPLT-UHFFFAOYSA-N Synonym: 2-nitro-p-toluidine,4-amino-3-nitrotoluene,3-nitro-4-toluidine,fast red gl,3-nitro-4-aminotoluene,fast red gl base,benzenamine, 4-methyl-2-nitro,2-nitro-4-methylaniline,4-methyl-6-nitroaniline,mnpt PubChem CID: 6978 ChEBI: CHEBI:66920 IUPAC Name: 4-methyl-2-nitroaniline SMILES: CC1=CC=C(N)C(=C1)[N+]([O-])=O

PubChem CID 6978
CAS 89-62-3
Molecular Weight (g/mol) 152.15
ChEBI CHEBI:66920
MDL Number MFCD00007907
SMILES CC1=CC=C(N)C(=C1)[N+]([O-])=O
Synonym 2-nitro-p-toluidine,4-amino-3-nitrotoluene,3-nitro-4-toluidine,fast red gl,3-nitro-4-aminotoluene,fast red gl base,benzenamine, 4-methyl-2-nitro,2-nitro-4-methylaniline,4-methyl-6-nitroaniline,mnpt
IUPAC Name 4-methyl-2-nitroaniline
InChI Key DLURHXYXQYMPLT-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
4,383
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Thermo Scientific Chemicals 8-Hydroxy-1,3,6-pyrenetrisulfonic acid trisodium salt, 98%

CAS: 6358-69-6 Molecular Formula: C16H7Na3O10S3 Molecular Weight (g/mol): 524.37 MDL Number: MFCD00037575 InChI Key: KXXXUIKPSVVSAW-UHFFFAOYSA-K PubChem CID: 61388 ChEBI: CHEBI:52083 IUPAC Name: trisodium;8-hydroxypyrene-1,3,6-trisulfonate SMILES: [Na+].[Na+].[Na+].OC1=CC(=C2C=CC3=C(C=C(C4=CC=C1C2=C34)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O

PubChem CID 61388
CAS 6358-69-6
Molecular Weight (g/mol) 524.37
ChEBI CHEBI:52083
MDL Number MFCD00037575
SMILES [Na+].[Na+].[Na+].OC1=CC(=C2C=CC3=C(C=C(C4=CC=C1C2=C34)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
IUPAC Name trisodium;8-hydroxypyrene-1,3,6-trisulfonate
InChI Key KXXXUIKPSVVSAW-UHFFFAOYSA-K
Molecular Formula C16H7Na3O10S3
4,384
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1-Hydroxypyrene, 99+%

CAS: 5315-79-7 Molecular Formula: C16H10O Molecular Weight (g/mol): 218.25 MDL Number: MFCD00044543 InChI Key: BIJNHUAPTJVVNQ-UHFFFAOYSA-N Synonym: 1-hydroxypyrene,1-pyrenol,3-hydroxypyrene,pyrenol,unii-n2h6o5v707,hydroxypyrene,1-hydroxy-pyrene,3-pyrenol,1-pyrenol 8ci PubChem CID: 21387 ChEBI: CHEBI:34093 IUPAC Name: pyren-1-ol SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O

PubChem CID 21387
CAS 5315-79-7
Molecular Weight (g/mol) 218.25
ChEBI CHEBI:34093
MDL Number MFCD00044543
SMILES C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O
Synonym 1-hydroxypyrene,1-pyrenol,3-hydroxypyrene,pyrenol,unii-n2h6o5v707,hydroxypyrene,1-hydroxy-pyrene,3-pyrenol,1-pyrenol 8ci
IUPAC Name pyren-1-ol
InChI Key BIJNHUAPTJVVNQ-UHFFFAOYSA-N
Molecular Formula C16H10O
4,385
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4-Chloro-2-methyl-6-nitroaniline, 97%, Thermo Scientific™

CAS: 62790-50-5 Molecular Formula: C7H7ClN2O2 Molecular Weight (g/mol): 186.60 MDL Number: MFCD01320687 InChI Key: QDSCDFKGUAONPC-UHFFFAOYSA-N Synonym: 4-chloro-2-methyl-6-nitrophenylamine,acmc-1b9ic,2-amino-5-chloro-3-nitrotoluene,2-methyl-4-chloro-6-nitroaniline,4-chloro-2-methyl-6-nitrobenzenamine,2-amino-5-chloro-3-methylnitrobenzene,benzenamine,4-chloro-2-methyl-6-nitro,benzenamine, 4-chloro-2-methyl-6-nitro 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
Synonym 4-chloro-2-methyl-6-nitrophenylamine,acmc-1b9ic,2-amino-5-chloro-3-nitrotoluene,2-methyl-4-chloro-6-nitroaniline,4-chloro-2-methyl-6-nitrobenzenamine,2-amino-5-chloro-3-methylnitrobenzene,benzenamine,4-chloro-2-methyl-6-nitro,benzenamine, 4-chloro-2-methyl-6-nitro
IUPAC Name 4-chloro-2-methyl-6-nitroaniline
InChI Key QDSCDFKGUAONPC-UHFFFAOYSA-N
Molecular Formula C7H7ClN2O2
4,386
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2-Nitrotoluene, 99+%

CAS: 88-72-2 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 InChI Key: PLAZTCDQAHEYBI-UHFFFAOYSA-N Synonym: 2-nitrotoluene,o-nitrotoluene,o-nitrotoluol,o-methylnitrobenzene,benzene, 1-methyl-2-nitro,toluene, o-nitro,2-methyl-1-nitrobenzene,2-nitrotoluol,ortho-nitrotoluol,2-methylnitrobenzene PubChem CID: 6944 ChEBI: CHEBI:33098 IUPAC Name: 1-methyl-2-nitrobenzene SMILES: CC1=CC=CC=C1[N+](=O)[O-]

PubChem CID 6944
CAS 88-72-2
Molecular Weight (g/mol) 137.14
ChEBI CHEBI:33098
SMILES CC1=CC=CC=C1[N+](=O)[O-]
Synonym 2-nitrotoluene,o-nitrotoluene,o-nitrotoluol,o-methylnitrobenzene,benzene, 1-methyl-2-nitro,toluene, o-nitro,2-methyl-1-nitrobenzene,2-nitrotoluol,ortho-nitrotoluol,2-methylnitrobenzene
IUPAC Name 1-methyl-2-nitrobenzene
InChI Key PLAZTCDQAHEYBI-UHFFFAOYSA-N
Molecular Formula C7H7NO2
4,387
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Methyl 4-amino-3-methylbenzoate, 98%

CAS: 18595-14-7 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00102230 InChI Key: ZHIPSMIKSRYZFV-UHFFFAOYSA-N Synonym: 4-amino-3-methylbenzoic acid methyl ester,4-amino-3-toluic acid methyl ester,methyl 3-methyl-4-aminobenzoate,methyl-4-amino-3-methyl-benzoate,methyl 4-amino-3-methyl-benzoate,benzoic acid, 4-amino-3-methyl-, methyl ester,4-amino-m-toluic acid methyl ester,methyl 4-amino-3-methylbenzenecarboxylate,zlchem 944,methyl 4-amino-m-toluate PubChem CID: 2736799 IUPAC Name: methyl 4-amino-3-methylbenzoate SMILES: COC(=O)C1=CC=C(N)C(C)=C1

PubChem CID 2736799
CAS 18595-14-7
Molecular Weight (g/mol) 165.19
MDL Number MFCD00102230
SMILES COC(=O)C1=CC=C(N)C(C)=C1
Synonym 4-amino-3-methylbenzoic acid methyl ester,4-amino-3-toluic acid methyl ester,methyl 3-methyl-4-aminobenzoate,methyl-4-amino-3-methyl-benzoate,methyl 4-amino-3-methyl-benzoate,benzoic acid, 4-amino-3-methyl-, methyl ester,4-amino-m-toluic acid methyl ester,methyl 4-amino-3-methylbenzenecarboxylate,zlchem 944,methyl 4-amino-m-toluate
IUPAC Name methyl 4-amino-3-methylbenzoate
InChI Key ZHIPSMIKSRYZFV-UHFFFAOYSA-N
Molecular Formula C9H11NO2
4,388

4-Butyl-2-methylaniline, Tech., Thermo Scientific™

CAS: 72072-16-3 Molecular Formula: C11H17N Molecular Weight (g/mol): 163.264 MDL Number: MFCD00190660 InChI Key: JTXOXRXZCAMPHL-UHFFFAOYSA-N PubChem CID: 577772 IUPAC Name: 4-butyl-2-methylaniline SMILES: CCCCC1=CC(=C(C=C1)N)C

PubChem CID 577772
CAS 72072-16-3
Molecular Weight (g/mol) 163.264
MDL Number MFCD00190660
SMILES CCCCC1=CC(=C(C=C1)N)C
IUPAC Name 4-butyl-2-methylaniline
InChI Key JTXOXRXZCAMPHL-UHFFFAOYSA-N
Molecular Formula C11H17N
4,389
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2,6-Dibromo-4-methylaniline, 98+%

CAS: 6968-24-7 Molecular Formula: C7H7Br2N Molecular Weight (g/mol): 264.948 MDL Number: MFCD00007641 InChI Key: ATDIROHVRVQMRO-UHFFFAOYSA-N Synonym: 2,6-dibromo-p-toluidine,3,5-dibromo-4-aminotoluene,benzenamine, 2,6-dibromo-4-methyl,2,6-dibromo-4-methyl aniline,2,6-dibromo-4-methyl-phenylamine,2,6-dibromo-4-methylphenylamine,2,6-dibromo-4-methyl-benzenamine,pubchem2334,acmc-209oag,2,6-dibromo-p-toludine PubChem CID: 81427 IUPAC Name: 2,6-dibromo-4-methylaniline SMILES: CC1=CC(=C(C(=C1)Br)N)Br

PubChem CID 81427
CAS 6968-24-7
Molecular Weight (g/mol) 264.948
MDL Number MFCD00007641
SMILES CC1=CC(=C(C(=C1)Br)N)Br
Synonym 2,6-dibromo-p-toluidine,3,5-dibromo-4-aminotoluene,benzenamine, 2,6-dibromo-4-methyl,2,6-dibromo-4-methyl aniline,2,6-dibromo-4-methyl-phenylamine,2,6-dibromo-4-methylphenylamine,2,6-dibromo-4-methyl-benzenamine,pubchem2334,acmc-209oag,2,6-dibromo-p-toludine
IUPAC Name 2,6-dibromo-4-methylaniline
InChI Key ATDIROHVRVQMRO-UHFFFAOYSA-N
Molecular Formula C7H7Br2N
4,390
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5-Fluoro-2-methylaniline, 98%

CAS: 367-29-3 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00007764 InChI Key: JLCDTNNLXUMYFQ-UHFFFAOYSA-N Synonym: 2-amino-4-fluorotoluene,5-fluoro-o-toluidine,3-fluoro-6-methylaniline,2-methyl-5-fluoroaniline,benzenamine, 5-fluoro-2-methyl,5-fluoro-2-methyl-phenylamine,5-fluoro-2-methyl-aniline,5-fluoro-2-methylphenylamine,5-fluor-2-methylanilin PubChem CID: 67774 IUPAC Name: 5-fluoro-2-methylaniline SMILES: CC1=CC=C(F)C=C1N

PubChem CID 67774
CAS 367-29-3
Molecular Weight (g/mol) 125.15
MDL Number MFCD00007764
SMILES CC1=CC=C(F)C=C1N
Synonym 2-amino-4-fluorotoluene,5-fluoro-o-toluidine,3-fluoro-6-methylaniline,2-methyl-5-fluoroaniline,benzenamine, 5-fluoro-2-methyl,5-fluoro-2-methyl-phenylamine,5-fluoro-2-methyl-aniline,5-fluoro-2-methylphenylamine,5-fluor-2-methylanilin
IUPAC Name 5-fluoro-2-methylaniline
InChI Key JLCDTNNLXUMYFQ-UHFFFAOYSA-N
Molecular Formula C7H8FN
4,391
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2-Amino-5-methylbenzenesulfonic acid, 99%

CAS: 88-44-8 Molecular Formula: C7H9NO3S Molecular Weight (g/mol): 187.21 MDL Number: MFCD00007908 InChI Key: LTPSRQRIPCVMKQ-UHFFFAOYSA-N Synonym: 4-aminotoluene-3-sulfonic acid,ptmsptmsa,ptms,ptmsa,benzenesulfonic acid, 2-amino-5-methyl,6-amino-m-toluenesulfonic acid,red 4b acid,p-toluidine-2-sulfonic acid,p-toluidine-m-sulfonic acid,m-toluenesulfonic acid, 6-amino PubChem CID: 6934 IUPAC Name: 2-amino-5-methylbenzenesulfonic acid SMILES: CC1=CC=C(N)C(=C1)S(O)(=O)=O

PubChem CID 6934
CAS 88-44-8
Molecular Weight (g/mol) 187.21
MDL Number MFCD00007908
SMILES CC1=CC=C(N)C(=C1)S(O)(=O)=O
Synonym 4-aminotoluene-3-sulfonic acid,ptmsptmsa,ptms,ptmsa,benzenesulfonic acid, 2-amino-5-methyl,6-amino-m-toluenesulfonic acid,red 4b acid,p-toluidine-2-sulfonic acid,p-toluidine-m-sulfonic acid,m-toluenesulfonic acid, 6-amino
IUPAC Name 2-amino-5-methylbenzenesulfonic acid
InChI Key LTPSRQRIPCVMKQ-UHFFFAOYSA-N
Molecular Formula C7H9NO3S
4,392

3,3',5-Triiodo-L-thyronine, 95%, Thermo Scientific Chemicals

CAS: 6893-02-3 Molecular Formula: C15H12I3NO4 Molecular Weight (g/mol): 650.97 InChI Key: AUYYCJSJGJYCDS-UHFFFAOYNA-N

CAS 6893-02-3
Molecular Weight (g/mol) 650.97
InChI Key AUYYCJSJGJYCDS-UHFFFAOYNA-N
Molecular Formula C15H12I3NO4
4,393
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Methyl 5-amino-2-methylbenzoate, 97%

CAS: 18595-12-5 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD08752568 InChI Key: JNPZKGOLYSCSEL-UHFFFAOYSA-N PubChem CID: 15049977 IUPAC Name: methyl 5-amino-2-methylbenzoate SMILES: COC(=O)C1=C(C)C=CC(N)=C1

PubChem CID 15049977
CAS 18595-12-5
Molecular Weight (g/mol) 165.19
MDL Number MFCD08752568
SMILES COC(=O)C1=C(C)C=CC(N)=C1
IUPAC Name methyl 5-amino-2-methylbenzoate
InChI Key JNPZKGOLYSCSEL-UHFFFAOYSA-N
Molecular Formula C9H11NO2
4,394
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4,4'-Dimethyldiphenylamine, 97%

CAS: 620-93-9 Molecular Formula: C14H15N Molecular Weight (g/mol): 197.28 InChI Key: RHPVVNRNAHRJOQ-UHFFFAOYSA-N Synonym: 4,4'-dimethyldiphenylamine,di-p-tolylamine,p,p'-ditolylamine,4-methyl-n-4-methylphenyl aniline,benzenamine, 4-methyl-n-4-methylphenyl,bis 4-methylphenyl amine,4,4-dimethyldiphenylamine,dip-tolylamine,di-p-tolylamin,di-p-tolyl-amine PubChem CID: 69293 IUPAC Name: 4-methyl-N-(4-methylphenyl)aniline SMILES: CC1=CC=C(C=C1)NC2=CC=C(C=C2)C

PubChem CID 69293
CAS 620-93-9
Molecular Weight (g/mol) 197.28
SMILES CC1=CC=C(C=C1)NC2=CC=C(C=C2)C
Synonym 4,4'-dimethyldiphenylamine,di-p-tolylamine,p,p'-ditolylamine,4-methyl-n-4-methylphenyl aniline,benzenamine, 4-methyl-n-4-methylphenyl,bis 4-methylphenyl amine,4,4-dimethyldiphenylamine,dip-tolylamine,di-p-tolylamin,di-p-tolyl-amine
IUPAC Name 4-methyl-N-(4-methylphenyl)aniline
InChI Key RHPVVNRNAHRJOQ-UHFFFAOYSA-N
Molecular Formula C14H15N
4,395
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3-Bromo-4-methylaniline, 97%

CAS: 7745-91-7 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00134176 InChI Key: GRXMMIBZRMKADT-UHFFFAOYSA-N Synonym: 3-bromo-p-toluidine,p-toluidine, 3-bromo,benzenamine, 3-bromo-4-methyl,3-bromo-4-methyl-phenylamine,3-bromo-1,4-toluidine,4-amino-2-bromotoluene,3-bromo-4-methylbenzenamine,3-bromo-4-methylphenylamine,3-bromo-para-toluidine,3-bromo-4-methyl-aniline PubChem CID: 82187 IUPAC Name: 3-bromo-4-methylaniline SMILES: CC1=CC=C(N)C=C1Br

PubChem CID 82187
CAS 7745-91-7
Molecular Weight (g/mol) 186.05
MDL Number MFCD00134176
SMILES CC1=CC=C(N)C=C1Br
Synonym 3-bromo-p-toluidine,p-toluidine, 3-bromo,benzenamine, 3-bromo-4-methyl,3-bromo-4-methyl-phenylamine,3-bromo-1,4-toluidine,4-amino-2-bromotoluene,3-bromo-4-methylbenzenamine,3-bromo-4-methylphenylamine,3-bromo-para-toluidine,3-bromo-4-methyl-aniline
IUPAC Name 3-bromo-4-methylaniline
InChI Key GRXMMIBZRMKADT-UHFFFAOYSA-N
Molecular Formula C7H8BrN