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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 (129,837)
Phenols (24,890)
Naphthalenes (6,294)
Phenol esters (4,685)
Unsubstituted Phenols (1,453)
Fluorenes (1,282)
Thiophenols (748)
Anthracenes (509)
Indanes (489)
Phenanthrenes and derivatives (364)
Tetralins (340)
Pyrenes (281)
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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2,566 – 2,580 of 158,358 results
2,566
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Butylated Hydroxytoluene, Granular, NF, 99-101.5%, Spectrum™ Chemical
SDP

CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.36 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N IUPAC Name: 2,6-di-tert-butyl-4-methylphenol SMILES: CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C

CAS 128-37-0
Molecular Weight (g/mol) 220.36
SMILES CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
IUPAC Name 2,6-di-tert-butyl-4-methylphenol
InChI Key NLZUEZXRPGMBCV-UHFFFAOYSA-N
Molecular Formula C15H24O
2,567
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3,4-Dihydroxycinnamic acid, predominantly trans, 98+%

CAS: 331-39-5 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00004392 InChI Key: QAIPRVGONGVQAS-DUXPYHPUSA-N Synonym: caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid PubChem CID: 689043 ChEBI: CHEBI:16433 IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O

PubChem CID 689043
CAS 331-39-5
Molecular Weight (g/mol) 180.159
ChEBI CHEBI:16433
MDL Number MFCD00004392
SMILES C1=CC(=C(C=C1C=CC(=O)O)O)O
Synonym caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid
IUPAC Name (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
InChI Key QAIPRVGONGVQAS-DUXPYHPUSA-N
Molecular Formula C9H8O4
2,568

L-Noradrenaline, 98%

CAS: 51-41-2 Molecular Formula: C8H11NO3 Molecular Weight (g/mol): 169.18 MDL Number: MFCD00025592 InChI Key: SFLSHLFXELFNJZ-QMMMGPOBSA-N Synonym: norepinephrine,l-noradrenaline,levarterenol,arterenol,noradrenaline,levophed,--norepinephrine,l-norepinephrine,r-noradrenaline,r-norepinephrine PubChem CID: 439260 ChEBI: CHEBI:18357 IUPAC Name: 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol SMILES: NC[C@H](O)C1=CC=C(O)C(O)=C1

PubChem CID 439260
CAS 51-41-2
Molecular Weight (g/mol) 169.18
ChEBI CHEBI:18357
MDL Number MFCD00025592
SMILES NC[C@H](O)C1=CC=C(O)C(O)=C1
Synonym norepinephrine,l-noradrenaline,levarterenol,arterenol,noradrenaline,levophed,--norepinephrine,l-norepinephrine,r-noradrenaline,r-norepinephrine
IUPAC Name 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
InChI Key SFLSHLFXELFNJZ-QMMMGPOBSA-N
Molecular Formula C8H11NO3
2,569

4,5-Dihydroxy-1,3-benznedisulphonic acid disodium salt, 97.4%, MP Biomedicals™

CAS: 149-45-1 Molecular Formula: C6H10Na2O8S2 Molecular Weight (g/mol): 320.238 InChI Key: HEOKHLCODUWALT-UHFFFAOYSA-N Synonym: tiron,tiferron,sodium catechol sulfate,disodium 4,5-dihydroxybenzene-1,3-disulfonate,3,5-disulfocatechol disodium salt,sodium pyrocatechol-3,5-disulfonate,disodium pyrocatechol-3,5-disulfonate,sodium 1,2-dihydroxybenzenedisulfonate,1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt,1,3-benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt PubChem CID: 131674010 IUPAC Name: 4,5-dihydroxybenzene-1,3-disulfonic acid;molecular hydrogen;sodium SMILES: [HH].[HH].C1=C(C=C(C(=C1S(=O)(=O)O)O)O)S(=O)(=O)O.[Na].[Na]

PubChem CID 131674010
CAS 149-45-1
Molecular Weight (g/mol) 320.238
SMILES [HH].[HH].C1=C(C=C(C(=C1S(=O)(=O)O)O)O)S(=O)(=O)O.[Na].[Na]
Synonym tiron,tiferron,sodium catechol sulfate,disodium 4,5-dihydroxybenzene-1,3-disulfonate,3,5-disulfocatechol disodium salt,sodium pyrocatechol-3,5-disulfonate,disodium pyrocatechol-3,5-disulfonate,sodium 1,2-dihydroxybenzenedisulfonate,1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt,1,3-benzenedisulfonic acid, 4,5-dihydroxy-, disodium salt
IUPAC Name 4,5-dihydroxybenzene-1,3-disulfonic acid;molecular hydrogen;sodium
InChI Key HEOKHLCODUWALT-UHFFFAOYSA-N
Molecular Formula C6H10Na2O8S2
2,570
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3,4-Diaminoanisole dihydrochloride, 98%

CAS: 59548-39-9 Molecular Formula: C7H10N2O·2ClH Molecular Weight (g/mol): 211.09 InChI Key: SXCHMHOBHJOXGC-UHFFFAOYSA-N Synonym: 4-methoxybenzene-1,2-diamine dihydrochloride,4-methoxy-o-phenylenediamine dihydrochloride,3,4-diaminoanisole dihydrochloride,1,2-benzenediamine, 4-methoxy-, dihydrochloride,3,4-diaminoanisole 2hcl,4-methoxy-phenylenediamine dihydrochloride,4-methoxy-1,2-benzenediamine dihydrochloride,4-methoxy-benzene-1,2-diamine dihydrochloride,4-methoxy-1,2-phenylenediamine dihydrochloride,4-methoxy-l,2-phenylene diamine dihydrochloride PubChem CID: 3085161 IUPAC Name: 4-methoxybenzene-1,2-diamine;dihydrochloride SMILES: COC1=CC(=C(C=C1)N)N.Cl.Cl

PubChem CID 3085161
CAS 59548-39-9
Molecular Weight (g/mol) 211.09
SMILES COC1=CC(=C(C=C1)N)N.Cl.Cl
Synonym 4-methoxybenzene-1,2-diamine dihydrochloride,4-methoxy-o-phenylenediamine dihydrochloride,3,4-diaminoanisole dihydrochloride,1,2-benzenediamine, 4-methoxy-, dihydrochloride,3,4-diaminoanisole 2hcl,4-methoxy-phenylenediamine dihydrochloride,4-methoxy-1,2-benzenediamine dihydrochloride,4-methoxy-benzene-1,2-diamine dihydrochloride,4-methoxy-1,2-phenylenediamine dihydrochloride,4-methoxy-l,2-phenylene diamine dihydrochloride
IUPAC Name 4-methoxybenzene-1,2-diamine;dihydrochloride
InChI Key SXCHMHOBHJOXGC-UHFFFAOYSA-N
Molecular Formula C7H10N2O·2ClH
2,571
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4-Fluoro-2-methoxyaniline, 95%

CAS: 450-91-9 Molecular Formula: C7H8FNO Molecular Weight (g/mol): 141.15 MDL Number: MFCD00077536 InChI Key: BNRRMRUVYDETQC-UHFFFAOYSA-N Synonym: 2-methoxy-4-fluoroaniline,2-amino-5-fluoroanisole,4-fluoro-2-methoxybenzenamine,benzenamine, 4-fluoro-2-methoxy,2-amino-5-fluoroanisole 4-fluoro-2-methoxyaniline,4-fluoro-o-anisidine,acmc-1aegy,4-fluoro-2-methoxy-aniline,ksc798g5t,4-fluoro-2-methoxyphenylamine PubChem CID: 13532228 IUPAC Name: 4-fluoro-2-methoxyaniline SMILES: COC1=C(N)C=CC(F)=C1

PubChem CID 13532228
CAS 450-91-9
Molecular Weight (g/mol) 141.15
MDL Number MFCD00077536
SMILES COC1=C(N)C=CC(F)=C1
Synonym 2-methoxy-4-fluoroaniline,2-amino-5-fluoroanisole,4-fluoro-2-methoxybenzenamine,benzenamine, 4-fluoro-2-methoxy,2-amino-5-fluoroanisole 4-fluoro-2-methoxyaniline,4-fluoro-o-anisidine,acmc-1aegy,4-fluoro-2-methoxy-aniline,ksc798g5t,4-fluoro-2-methoxyphenylamine
IUPAC Name 4-fluoro-2-methoxyaniline
InChI Key BNRRMRUVYDETQC-UHFFFAOYSA-N
Molecular Formula C7H8FNO
2,572

2,6-dibromo-3-chloro-4-fluoroaniline, Thermo Scientific™

CAS: 175135-09-8 Molecular Formula: C6H3Br2ClFN Molecular Weight (g/mol): 303.353 InChI Key: PRZBEZGEEPNKRO-UHFFFAOYSA-N PubChem CID: 2736480 IUPAC Name: 2,6-dibromo-3-chloro-4-fluoroaniline SMILES: C1=C(C(=C(C(=C1Br)N)Br)Cl)F

PubChem CID 2736480
CAS 175135-09-8
Molecular Weight (g/mol) 303.353
SMILES C1=C(C(=C(C(=C1Br)N)Br)Cl)F
IUPAC Name 2,6-dibromo-3-chloro-4-fluoroaniline
InChI Key PRZBEZGEEPNKRO-UHFFFAOYSA-N
Molecular Formula C6H3Br2ClFN
2,573
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2-Chloro-5-methoxyaniline, 98+%

CAS: 2401-24-3 Molecular Formula: C7H8ClNO Molecular Weight (g/mol): 157.597 MDL Number: MFCD00047830 InChI Key: GBOUQGUQUUPGLO-UHFFFAOYSA-N Synonym: 6-chloro-m-anisidine,3-amino-4-chloroanisole,benzenamine, 2-chloro-5-methoxy,2-chloro-5-methoxy-aniline,6-chloro-m-anisidine hydrochloride,2-chloro-5-methoxy-phenylamine,2-chloro-5-methoxybenzenamine hydrochloride,6-chloro-meta-anisidine hydrochloride,2-chloro-5-methoxyanilinehydrochloride,timtec-bb sbb008038 PubChem CID: 75460 IUPAC Name: 2-chloro-5-methoxyaniline SMILES: COC1=CC(=C(C=C1)Cl)N

PubChem CID 75460
CAS 2401-24-3
Molecular Weight (g/mol) 157.597
MDL Number MFCD00047830
SMILES COC1=CC(=C(C=C1)Cl)N
Synonym 6-chloro-m-anisidine,3-amino-4-chloroanisole,benzenamine, 2-chloro-5-methoxy,2-chloro-5-methoxy-aniline,6-chloro-m-anisidine hydrochloride,2-chloro-5-methoxy-phenylamine,2-chloro-5-methoxybenzenamine hydrochloride,6-chloro-meta-anisidine hydrochloride,2-chloro-5-methoxyanilinehydrochloride,timtec-bb sbb008038
IUPAC Name 2-chloro-5-methoxyaniline
InChI Key GBOUQGUQUUPGLO-UHFFFAOYSA-N
Molecular Formula C7H8ClNO
2,574
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2-Bromo-3-fluoroaniline, 97%

CAS: 111721-75-6 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.015 MDL Number: MFCD07369915 InChI Key: XZRSXRUYZXBTGD-UHFFFAOYSA-N Synonym: 2-bromo-3-fluorophenylamine,2-bromo-3-fluoro-phenylamine,2-bromo-3-fluorobenzenamine,benzenamine, 2-bromo-3-fluoro,pubchem1523,acmc-1c6kb,2-bromo-3-fluoro-aniline,ksc493i1t,2-bromo-3-fluoro-phenyl-amine PubChem CID: 14770005 IUPAC Name: 2-bromo-3-fluoroaniline SMILES: C1=CC(=C(C(=C1)F)Br)N

PubChem CID 14770005
CAS 111721-75-6
Molecular Weight (g/mol) 190.015
MDL Number MFCD07369915
SMILES C1=CC(=C(C(=C1)F)Br)N
Synonym 2-bromo-3-fluorophenylamine,2-bromo-3-fluoro-phenylamine,2-bromo-3-fluorobenzenamine,benzenamine, 2-bromo-3-fluoro,pubchem1523,acmc-1c6kb,2-bromo-3-fluoro-aniline,ksc493i1t,2-bromo-3-fluoro-phenyl-amine
IUPAC Name 2-bromo-3-fluoroaniline
InChI Key XZRSXRUYZXBTGD-UHFFFAOYSA-N
Molecular Formula C6H5BrFN
2,575
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2,6-Difluoro-3-methoxyaniline, 97%

CAS: 144851-62-7 Molecular Formula: C7H7F2NO Molecular Weight (g/mol): 159.14 MDL Number: MFCD04115898 InChI Key: XVLHUQRLEPQGDI-UHFFFAOYSA-N Synonym: benzenamine,2,6-difluoro-3-methoxy,acmc-20dww5,2,6-difluoro-m-anisidine,3-amino-2,4-difluoroanisole,2,6-difluoro-3-methoxyphenylamine,benzenamine, 2,6-difluoro-3-methoxy-9ci PubChem CID: 3871278 IUPAC Name: 2,6-difluoro-3-methoxyaniline SMILES: COC1=C(F)C(N)=C(F)C=C1

PubChem CID 3871278
CAS 144851-62-7
Molecular Weight (g/mol) 159.14
MDL Number MFCD04115898
SMILES COC1=C(F)C(N)=C(F)C=C1
Synonym benzenamine,2,6-difluoro-3-methoxy,acmc-20dww5,2,6-difluoro-m-anisidine,3-amino-2,4-difluoroanisole,2,6-difluoro-3-methoxyphenylamine,benzenamine, 2,6-difluoro-3-methoxy-9ci
IUPAC Name 2,6-difluoro-3-methoxyaniline
InChI Key XVLHUQRLEPQGDI-UHFFFAOYSA-N
Molecular Formula C7H7F2NO
2,576

1-(4-Methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 187998-64-7 Molecular Formula: C12H12N2O3 Molecular Weight (g/mol): 232.239 MDL Number: MFCD02677745 InChI Key: JPFGKGZYCXLEGQ-UHFFFAOYSA-N PubChem CID: 2776133 IUPAC Name: 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid SMILES: CC1=C(C=NN1C2=CC=C(C=C2)OC)C(=O)O

PubChem CID 2776133
CAS 187998-64-7
Molecular Weight (g/mol) 232.239
MDL Number MFCD02677745
SMILES CC1=C(C=NN1C2=CC=C(C=C2)OC)C(=O)O
IUPAC Name 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid
InChI Key JPFGKGZYCXLEGQ-UHFFFAOYSA-N
Molecular Formula C12H12N2O3
2,577
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4-Bromo-3-methoxyaniline, 97+%

CAS: 19056-40-7 Molecular Formula: C7H8BrNO Molecular Weight (g/mol): 202.05 MDL Number: MFCD05664063 InChI Key: RUTNWXBHRAIQSP-UHFFFAOYSA-N Synonym: 5-amino-2-bromoanisole,4-bromo-m-anisidine,4-bromo-3-methoxy-phenylamine,4-bromo-3-methoxy-aniline,3-methoxy-4-bromoaniline,4-bromo-3-methoxy aniline,4-bromo-3-methoxyphenylamine,benzenamine, 4-bromo-3-methoxy,4-bromo-3-methoxybenzenamine,pubchem3794 PubChem CID: 7018254 IUPAC Name: 4-bromo-3-methoxyaniline SMILES: COC1=C(Br)C=CC(N)=C1

PubChem CID 7018254
CAS 19056-40-7
Molecular Weight (g/mol) 202.05
MDL Number MFCD05664063
SMILES COC1=C(Br)C=CC(N)=C1
Synonym 5-amino-2-bromoanisole,4-bromo-m-anisidine,4-bromo-3-methoxy-phenylamine,4-bromo-3-methoxy-aniline,3-methoxy-4-bromoaniline,4-bromo-3-methoxy aniline,4-bromo-3-methoxyphenylamine,benzenamine, 4-bromo-3-methoxy,4-bromo-3-methoxybenzenamine,pubchem3794
IUPAC Name 4-bromo-3-methoxyaniline
InChI Key RUTNWXBHRAIQSP-UHFFFAOYSA-N
Molecular Formula C7H8BrNO
2,578
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N-Methyl-p-anisidine, 98%

CAS: 5961-59-1 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00008399 InChI Key: JFXDIXYFXDOZIT-UHFFFAOYSA-N Synonym: n-methyl-p-anisidine,n-methyl-4-anisidine,n-methyl-4-methoxyaniline,benzenamine, 4-methoxy-n-methyl,n-methyl-p-ansidine,p-anisidine, n-methyl,4-methoxy-n-methylbenzenamine,1-methylamino-4-methoxybenzene,p-methoxy-n-methylaniline,acmc-209mes PubChem CID: 22250 IUPAC Name: 4-methoxy-N-methylaniline SMILES: CNC1=CC=C(C=C1)OC

PubChem CID 22250
CAS 5961-59-1
Molecular Weight (g/mol) 137.18
MDL Number MFCD00008399
SMILES CNC1=CC=C(C=C1)OC
Synonym n-methyl-p-anisidine,n-methyl-4-anisidine,n-methyl-4-methoxyaniline,benzenamine, 4-methoxy-n-methyl,n-methyl-p-ansidine,p-anisidine, n-methyl,4-methoxy-n-methylbenzenamine,1-methylamino-4-methoxybenzene,p-methoxy-n-methylaniline,acmc-209mes
IUPAC Name 4-methoxy-N-methylaniline
InChI Key JFXDIXYFXDOZIT-UHFFFAOYSA-N
Molecular Formula C8H11NO
2,579
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3,5-Dimethoxyaniline, 98%

CAS: 10272-07-8 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.18 MDL Number: MFCD00008392 InChI Key: WNRGWPVJGDABME-UHFFFAOYSA-N Synonym: benzenamine, 3,5-dimethoxy,3,5-dimethoxybenzeneamine,5-aminoresorcinol dimethyl ether,3,5-dimethoxy-phenylamine,3,5-dimethoxyanaline,3,5-dimethoxy aniline,5-aminoresorcinol dimethylether,3,5-dimethoxybenzenamine,3,5-dimethoxyphenylamine,pubchem4423 PubChem CID: 66301 IUPAC Name: 3,5-dimethoxyaniline SMILES: COC1=CC(OC)=CC(N)=C1

PubChem CID 66301
CAS 10272-07-8
Molecular Weight (g/mol) 153.18
MDL Number MFCD00008392
SMILES COC1=CC(OC)=CC(N)=C1
Synonym benzenamine, 3,5-dimethoxy,3,5-dimethoxybenzeneamine,5-aminoresorcinol dimethyl ether,3,5-dimethoxy-phenylamine,3,5-dimethoxyanaline,3,5-dimethoxy aniline,5-aminoresorcinol dimethylether,3,5-dimethoxybenzenamine,3,5-dimethoxyphenylamine,pubchem4423
IUPAC Name 3,5-dimethoxyaniline
InChI Key WNRGWPVJGDABME-UHFFFAOYSA-N
Molecular Formula C8H11NO2
2,580
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3-Fluoro-4-methoxyaniline, 99%

CAS: 366-99-4 Molecular Formula: C7H8FNO Molecular Weight (g/mol): 141.15 MDL Number: MFCD00075040 InChI Key: LJWAPDSCYTZUJU-UHFFFAOYSA-N Synonym: 3-fluoro-4-anisidine,4-amino-2-fluoroanisole,3-fluoro-p-anisidine,3-fluoro-4-methoxy-phenylamine,benzenamine, 3-fluoro-4-methoxy,3-fluoro-4-methoxy-aniline,3-fluoro-4-methoxyphenylamine,2-fluoro-4-aminoanisole,3-fluoro-4-methoxy-anilin,3-fluoro-4-methoxy-benzenamine PubChem CID: 581110 IUPAC Name: 3-fluoro-4-methoxyaniline SMILES: COC1=C(C=C(C=C1)N)F

PubChem CID 581110
CAS 366-99-4
Molecular Weight (g/mol) 141.15
MDL Number MFCD00075040
SMILES COC1=C(C=C(C=C1)N)F
Synonym 3-fluoro-4-anisidine,4-amino-2-fluoroanisole,3-fluoro-p-anisidine,3-fluoro-4-methoxy-phenylamine,benzenamine, 3-fluoro-4-methoxy,3-fluoro-4-methoxy-aniline,3-fluoro-4-methoxyphenylamine,2-fluoro-4-aminoanisole,3-fluoro-4-methoxy-anilin,3-fluoro-4-methoxy-benzenamine
IUPAC Name 3-fluoro-4-methoxyaniline
InChI Key LJWAPDSCYTZUJU-UHFFFAOYSA-N
Molecular Formula C7H8FNO