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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 (91)
Phenols (26)
Naphthalenes (11)
Thiophenols (2)
Unsubstituted Phenols (2)
Phenanthrenes and derivatives (1)
Tetralins (1)

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1 – 15 of 117 results
1

3-Bromobenzonitrile 98.0+%, TCI America™

CAS: 6952-59-6 Molecular Formula: C7H4BrN Molecular Weight (g/mol): 182.02 MDL Number: MFCD00001796 InChI Key: STXAVEHFKAXGOX-UHFFFAOYSA-N Synonym: m-bromobenzonitrile,benzonitrile, 3-bromo,benzonitrile, m-bromo,3-cyanobromobenzene,1-bromo-3-cyanobenzene,3-bromobenzenecarbonitrile,3-bromo benzonitrile,3-bromobenzonitride,m-brombenzonitril,3-brombenzonitrile PubChem CID: 23381 IUPAC Name: 3-bromobenzonitrile SMILES: BrC1=CC=CC(=C1)C#N

PubChem CID 23381
CAS 6952-59-6
Molecular Weight (g/mol) 182.02
MDL Number MFCD00001796
SMILES BrC1=CC=CC(=C1)C#N
Synonym m-bromobenzonitrile,benzonitrile, 3-bromo,benzonitrile, m-bromo,3-cyanobromobenzene,1-bromo-3-cyanobenzene,3-bromobenzenecarbonitrile,3-bromo benzonitrile,3-bromobenzonitride,m-brombenzonitril,3-brombenzonitrile
IUPAC Name 3-bromobenzonitrile
InChI Key STXAVEHFKAXGOX-UHFFFAOYSA-N
Molecular Formula C7H4BrN
2

4-Iodobenzylamine 97.0+%, TCI America™

CAS: 39959-59-6 Molecular Formula: C7H8IN Molecular Weight (g/mol): 233.052 MDL Number: MFCD00047933 InChI Key: KCGZGJOBKAXVSU-UHFFFAOYSA-N Synonym: 4-iodophenyl methanamine,4-iodobenzylamine,4-iodo-benzylamine,4-iodobenzyl amine,benzenemethanamine, 4-iodo,1-4-iodophenyl methanamine,4-iodophenyl methylamine,4-iodobenzylamine, hydrochloride salt,acmc-20a5sy,p-iodobenzylamine PubChem CID: 2737533 IUPAC Name: (4-iodophenyl)methanamine SMILES: C1=CC(=CC=C1CN)I

PubChem CID 2737533
CAS 39959-59-6
Molecular Weight (g/mol) 233.052
MDL Number MFCD00047933
SMILES C1=CC(=CC=C1CN)I
Synonym 4-iodophenyl methanamine,4-iodobenzylamine,4-iodo-benzylamine,4-iodobenzyl amine,benzenemethanamine, 4-iodo,1-4-iodophenyl methanamine,4-iodophenyl methylamine,4-iodobenzylamine, hydrochloride salt,acmc-20a5sy,p-iodobenzylamine
IUPAC Name (4-iodophenyl)methanamine
InChI Key KCGZGJOBKAXVSU-UHFFFAOYSA-N
Molecular Formula C7H8IN
3

Tetrakis(4-hydroxyphenyl)ethylene 97.0+%, TCI America™

CAS: 119301-59-6 Molecular Formula: C26H20O4 Molecular Weight (g/mol): 396.442 InChI Key: QQUZHNPGWNIYMK-UHFFFAOYSA-N PubChem CID: 10200771 IUPAC Name: 4-[1,2,2-tris(4-hydroxyphenyl)ethenyl]phenol SMILES: C1=CC(=CC=C1C(=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)O

PubChem CID 10200771
CAS 119301-59-6
Molecular Weight (g/mol) 396.442
SMILES C1=CC(=CC=C1C(=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)O
IUPAC Name 4-[1,2,2-tris(4-hydroxyphenyl)ethenyl]phenol
InChI Key QQUZHNPGWNIYMK-UHFFFAOYSA-N
Molecular Formula C26H20O4
4

2-Methoxybenzenethiol 98.0+%, TCI America™

CAS: 7217-59-6 Molecular Formula: C7H8OS Molecular Weight (g/mol): 140.2 InChI Key: DSCJETUEDFKYGN-UHFFFAOYSA-N Synonym: 2-methoxythiophenol,thioguaiacol,benzenethiol, 2-methoxy,o-methoxythiophenol,o-methoxybenzenethiol,2-methoxy thiophenol,2-mercaptoanisole,2-methoxybenzene-1-thiol,2-methoxy-benzenethiol,benzenethiol, o-methoxy PubChem CID: 23642 IUPAC Name: 2-methoxybenzenethiol SMILES: COC1=CC=CC=C1S

PubChem CID 23642
CAS 7217-59-6
Molecular Weight (g/mol) 140.2
SMILES COC1=CC=CC=C1S
Synonym 2-methoxythiophenol,thioguaiacol,benzenethiol, 2-methoxy,o-methoxythiophenol,o-methoxybenzenethiol,2-methoxy thiophenol,2-mercaptoanisole,2-methoxybenzene-1-thiol,2-methoxy-benzenethiol,benzenethiol, o-methoxy
IUPAC Name 2-methoxybenzenethiol
InChI Key DSCJETUEDFKYGN-UHFFFAOYSA-N
Molecular Formula C7H8OS
5

4-Bromo-3-chlorobenzoic Acid 98.0+%, TCI America™

CAS: 25118-59-6 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.46 MDL Number: MFCD08276864 InChI Key: PSKJIHDVFDVNBU-UHFFFAOYSA-N Synonym: benzoic acid, 4-bromo-3-chloro,acmc-1cbza,intermediates-zcf02677,ksc201k8d,3-chloro-4-bromobenzoic acid,4-bromo-3-chloro-benzoic acid,3-chloro-4-bromor-benzoic acid,benzoicacid, 4-bromo-3-chloro,4-bromanyl-3-chloranyl-benzoic acid,4-bromo-3-chlorobenzoic acid PubChem CID: 12594302 IUPAC Name: 4-bromo-3-chlorobenzoic acid SMILES: OC(=O)C1=CC(Cl)=C(Br)C=C1

PubChem CID 12594302
CAS 25118-59-6
Molecular Weight (g/mol) 235.46
MDL Number MFCD08276864
SMILES OC(=O)C1=CC(Cl)=C(Br)C=C1
Synonym benzoic acid, 4-bromo-3-chloro,acmc-1cbza,intermediates-zcf02677,ksc201k8d,3-chloro-4-bromobenzoic acid,4-bromo-3-chloro-benzoic acid,3-chloro-4-bromor-benzoic acid,benzoicacid, 4-bromo-3-chloro,4-bromanyl-3-chloranyl-benzoic acid,4-bromo-3-chlorobenzoic acid
IUPAC Name 4-bromo-3-chlorobenzoic acid
InChI Key PSKJIHDVFDVNBU-UHFFFAOYSA-N
Molecular Formula C7H4BrClO2
6

4-Bromo-2,6-difluorobenzyl Alcohol 98.0+%, TCI America™

CAS: 162744-59-4 Molecular Formula: C7H5BrF2O Molecular Weight (g/mol): 223.017 MDL Number: MFCD03094461 InChI Key: LSRHFWSNUFIKER-UHFFFAOYSA-N Synonym: 4-bromo-2,6-difluorobenzyl alcohol,4-bromo-2,6-difluorophenyl methanol,4-bromo-2,6-difluorobenzylalcohol,benzenemethanol, 4-bromo-2,6-difluoro,4-bromo-2,6-difluoro-benzenemethanol,2,6-difluoro-4-bromobenzyl alcohol,4-bromo-2,6-difluoro-phenyl methanol,2,6-difluoro-4-bromo benzyl alcohol,pubchem4882,acmc-209dox PubChem CID: 2773303 IUPAC Name: (4-bromo-2,6-difluorophenyl)methanol SMILES: C1=C(C=C(C(=C1F)CO)F)Br

PubChem CID 2773303
CAS 162744-59-4
Molecular Weight (g/mol) 223.017
MDL Number MFCD03094461
SMILES C1=C(C=C(C(=C1F)CO)F)Br
Synonym 4-bromo-2,6-difluorobenzyl alcohol,4-bromo-2,6-difluorophenyl methanol,4-bromo-2,6-difluorobenzylalcohol,benzenemethanol, 4-bromo-2,6-difluoro,4-bromo-2,6-difluoro-benzenemethanol,2,6-difluoro-4-bromobenzyl alcohol,4-bromo-2,6-difluoro-phenyl methanol,2,6-difluoro-4-bromo benzyl alcohol,pubchem4882,acmc-209dox
IUPAC Name (4-bromo-2,6-difluorophenyl)methanol
InChI Key LSRHFWSNUFIKER-UHFFFAOYSA-N
Molecular Formula C7H5BrF2O
7

4-Dodecyl-o-cresol 98.0+%, TCI America™

CAS: 29665-59-6 Molecular Formula: C19H32O Molecular Weight (g/mol): 276.46 MDL Number: MFCD00191639 InChI Key: RJLWSJUUDKAMPQ-UHFFFAOYSA-N Synonym: 4-Lauryl-o-cresol PubChem CID: 578742 IUPAC Name: 4-dodecyl-2-methylphenol SMILES: CCCCCCCCCCCCC1=CC(C)=C(O)C=C1

PubChem CID 578742
CAS 29665-59-6
Molecular Weight (g/mol) 276.46
MDL Number MFCD00191639
SMILES CCCCCCCCCCCCC1=CC(C)=C(O)C=C1
Synonym 4-Lauryl-o-cresol
IUPAC Name 4-dodecyl-2-methylphenol
InChI Key RJLWSJUUDKAMPQ-UHFFFAOYSA-N
Molecular Formula C19H32O
8

2,4,6-Triisopropylbenzenesulfonyl Hydrazide 95.0+%, TCI America™

CAS: 39085-59-1 Molecular Formula: C15H26N2O2S Molecular Weight (g/mol): 298.45 MDL Number: MFCD00014750 InChI Key: UGRVYFQFDZRNMQ-UHFFFAOYSA-N Synonym: 2,4,6-triisopropylbenzenesulfonohydrazide,2,4,6-triisopropylbenzenesulfonyl hydrazide,2,4,6-triisopropylbenzenesulphonohydrazide,2,4,6-tri propan-2-yl benzenesulfonohydrazide,benzenesulfonic acid, 2,4,6-tris 1-methylethyl-, hydrazide,tpsh,ksc918s7f,2,4,6-triisopropylbenzene sulfonohydrazide,2,4,6-triisopropylbenzenesulfono hydrazide,2,4,6-triisopropylbenzene sulphonohydrazide PubChem CID: 359333 IUPAC Name: 2,4,6-tris(propan-2-yl)benzene-1-sulfonohydrazide SMILES: CC(C)C1=CC(C(C)C)=C(C(=C1)C(C)C)S(=O)(=O)NN

PubChem CID 359333
CAS 39085-59-1
Molecular Weight (g/mol) 298.45
MDL Number MFCD00014750
SMILES CC(C)C1=CC(C(C)C)=C(C(=C1)C(C)C)S(=O)(=O)NN
Synonym 2,4,6-triisopropylbenzenesulfonohydrazide,2,4,6-triisopropylbenzenesulfonyl hydrazide,2,4,6-triisopropylbenzenesulphonohydrazide,2,4,6-tri propan-2-yl benzenesulfonohydrazide,benzenesulfonic acid, 2,4,6-tris 1-methylethyl-, hydrazide,tpsh,ksc918s7f,2,4,6-triisopropylbenzene sulfonohydrazide,2,4,6-triisopropylbenzenesulfono hydrazide,2,4,6-triisopropylbenzene sulphonohydrazide
IUPAC Name 2,4,6-tris(propan-2-yl)benzene-1-sulfonohydrazide
InChI Key UGRVYFQFDZRNMQ-UHFFFAOYSA-N
Molecular Formula C15H26N2O2S
9

2-Bromo-4-methoxy-6-nitrophenol 98.0+%, TCI America™

CAS: 115929-59-4 Molecular Formula: C7H6BrNO4 Molecular Weight (g/mol): 248.032 MDL Number: MFCD06797984 InChI Key: GAVVLRJHVWIDPK-UHFFFAOYSA-N PubChem CID: 11265140 IUPAC Name: 2-bromo-4-methoxy-6-nitrophenol SMILES: COC1=CC(=C(C(=C1)[N+](=O)[O-])O)Br

PubChem CID 11265140
CAS 115929-59-4
Molecular Weight (g/mol) 248.032
MDL Number MFCD06797984
SMILES COC1=CC(=C(C(=C1)[N+](=O)[O-])O)Br
IUPAC Name 2-bromo-4-methoxy-6-nitrophenol
InChI Key GAVVLRJHVWIDPK-UHFFFAOYSA-N
Molecular Formula C7H6BrNO4
10

Isoproturon 98.0+%, TCI America™

CAS: 34123-59-6 Molecular Formula: C12H18N2O Molecular Weight (g/mol): 206.289 MDL Number: MFCD00078684 InChI Key: PUIYMUZLKQOUOZ-UHFFFAOYSA-N Synonym: isoproturon,graminon,3-4-isopropylphenyl-1,1-dimethylurea,tolkan,arelon,belgran,arelon r,nocilon,ipu stefes,ip-flo PubChem CID: 36679 ChEBI: CHEBI:6049 IUPAC Name: 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea SMILES: CC(C)C1=CC=C(C=C1)NC(=O)N(C)C

PubChem CID 36679
CAS 34123-59-6
Molecular Weight (g/mol) 206.289
ChEBI CHEBI:6049
MDL Number MFCD00078684
SMILES CC(C)C1=CC=C(C=C1)NC(=O)N(C)C
Synonym isoproturon,graminon,3-4-isopropylphenyl-1,1-dimethylurea,tolkan,arelon,belgran,arelon r,nocilon,ipu stefes,ip-flo
IUPAC Name 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea
InChI Key PUIYMUZLKQOUOZ-UHFFFAOYSA-N
Molecular Formula C12H18N2O
11

2,4,6-Tri-tert-butylnitrosobenzene 98.0+%, TCI America™

CAS: 24973-59-9 Molecular Formula: C18H29NO Molecular Weight (g/mol): 275.44 MDL Number: MFCD00008817 InChI Key: OSICDPWAPKXXHT-UHFFFAOYSA-N PubChem CID: 90676 IUPAC Name: 1,3,5-tri-tert-butyl-2-nitrosobenzene SMILES: CC(C)(C)C1=CC(=C(N=O)C(=C1)C(C)(C)C)C(C)(C)C

PubChem CID 90676
CAS 24973-59-9
Molecular Weight (g/mol) 275.44
MDL Number MFCD00008817
SMILES CC(C)(C)C1=CC(=C(N=O)C(=C1)C(C)(C)C)C(C)(C)C
IUPAC Name 1,3,5-tri-tert-butyl-2-nitrosobenzene
InChI Key OSICDPWAPKXXHT-UHFFFAOYSA-N
Molecular Formula C18H29NO
12

2-Bromo-4-nitrophenol 98.0+%, TCI America™

CAS: 5847-59-6 Molecular Formula: C6H4BrNO3 Molecular Weight (g/mol): 218.006 MDL Number: MFCD06656567 InChI Key: DCIPFSYBGTWYCR-UHFFFAOYSA-N Synonym: 3-Bromo-4-hydroxynitrobenzene PubChem CID: 22109 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Br)O

PubChem CID 22109
CAS 5847-59-6
Molecular Weight (g/mol) 218.006
MDL Number MFCD06656567
SMILES C1=CC(=C(C=C1[N+](=O)[O-])Br)O
Synonym 3-Bromo-4-hydroxynitrobenzene
InChI Key DCIPFSYBGTWYCR-UHFFFAOYSA-N
Molecular Formula C6H4BrNO3
13

2,6-Dibromo-1,5-dihydroxynaphthalene 93.0+%, TCI America™

CAS: 84-59-3 Molecular Formula: C10H6Br2O2 Molecular Weight (g/mol): 317.964 MDL Number: MFCD00021473 InChI Key: GHJUWGHWJYULLK-UHFFFAOYSA-N Synonym: 2,6-Dibromo-1,5-naphthalenediol PubChem CID: 96260 IUPAC Name: 2,6-dibromonaphthalene-1,5-diol SMILES: C1=CC(=C(C2=C1C(=C(C=C2)Br)O)O)Br

PubChem CID 96260
CAS 84-59-3
Molecular Weight (g/mol) 317.964
MDL Number MFCD00021473
SMILES C1=CC(=C(C2=C1C(=C(C=C2)Br)O)O)Br
Synonym 2,6-Dibromo-1,5-naphthalenediol
IUPAC Name 2,6-dibromonaphthalene-1,5-diol
InChI Key GHJUWGHWJYULLK-UHFFFAOYSA-N
Molecular Formula C10H6Br2O2
14

2-(3,5-Dibromophenyl)-4,6-diphenyl-1,3,5-triazine 98.0+%, TCI America™

CAS: 1073062-59-5 Molecular Formula: C21H13Br2N3 Molecular Weight (g/mol): 467.164 MDL Number: MFCD25562933 InChI Key: DRQMSTXYCLCAHO-UHFFFAOYSA-N PubChem CID: 58382615 IUPAC Name: 2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC(=C3)Br)Br)C4=CC=CC=C4

PubChem CID 58382615
CAS 1073062-59-5
Molecular Weight (g/mol) 467.164
MDL Number MFCD25562933
SMILES C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC(=C3)Br)Br)C4=CC=CC=C4
IUPAC Name 2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine
InChI Key DRQMSTXYCLCAHO-UHFFFAOYSA-N
Molecular Formula C21H13Br2N3
15

Methyl 6-Amino-2-naphthoate 98.0+%, TCI America™

CAS: 5159-59-1 Molecular Formula: C12H11NO2 Molecular Weight (g/mol): 201.225 MDL Number: MFCD06797040 InChI Key: LPXVPYIHRFOTJZ-UHFFFAOYSA-N Synonym: 6-Amino-2-naphthoic Acid Methyl Ester PubChem CID: 11995029 IUPAC Name: methyl 6-aminonaphthalene-2-carboxylate SMILES: COC(=O)C1=CC2=C(C=C1)C=C(C=C2)N

PubChem CID 11995029
CAS 5159-59-1
Molecular Weight (g/mol) 201.225
MDL Number MFCD06797040
SMILES COC(=O)C1=CC2=C(C=C1)C=C(C=C2)N
Synonym 6-Amino-2-naphthoic Acid Methyl Ester
IUPAC Name methyl 6-aminonaphthalene-2-carboxylate
InChI Key LPXVPYIHRFOTJZ-UHFFFAOYSA-N
Molecular Formula C12H11NO2