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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 (164)
Phenols (24)
Naphthalenes (9)
Anthracenes (7)
Tetralins (3)
Phenol esters (2)
Phenanthrenes and derivatives (1)
Pyrenes (1)
Thiophenols (1)

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1 – 15 of 198 results
1

3,4-Diacetoxybenzaldehyde 98.0+%, TCI America™

CAS: 67727-64-4 Molecular Formula: C11H10O5 Molecular Weight (g/mol): 222.20 MDL Number: MFCD00143057 InChI Key: WYHMNJKAVNPOOR-UHFFFAOYSA-N PubChem CID: 1517488 IUPAC Name: 2-(acetyloxy)-5-formylphenyl acetate SMILES: CC(=O)OC1=C(OC(C)=O)C=C(C=O)C=C1

PubChem CID 1517488
CAS 67727-64-4
Molecular Weight (g/mol) 222.20
MDL Number MFCD00143057
SMILES CC(=O)OC1=C(OC(C)=O)C=C(C=O)C=C1
IUPAC Name 2-(acetyloxy)-5-formylphenyl acetate
InChI Key WYHMNJKAVNPOOR-UHFFFAOYSA-N
Molecular Formula C11H10O5
2

9-Bromoanthracene 95.0+%, TCI America™

CAS: 1564-64-3 Molecular Formula: C14H9Br Molecular Weight (g/mol): 257.13 MDL Number: MFCD00001243 InChI Key: ZIRVQSRSPDUEOJ-UHFFFAOYSA-N Synonym: anthracene, 9-bromo,9-bromo anthracene,9-bromo-anthracene,9-anthracenyl bromide,9-bromanthracen,pubchem9183,9-bromoanthrene,acmc-209ddx,9-bromoanthracene,dsstox_cid_29080 PubChem CID: 74062 IUPAC Name: 9-bromoanthracene SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2Br

PubChem CID 74062
CAS 1564-64-3
Molecular Weight (g/mol) 257.13
MDL Number MFCD00001243
SMILES C1=CC=C2C(=C1)C=C3C=CC=CC3=C2Br
Synonym anthracene, 9-bromo,9-bromo anthracene,9-bromo-anthracene,9-anthracenyl bromide,9-bromanthracen,pubchem9183,9-bromoanthrene,acmc-209ddx,9-bromoanthracene,dsstox_cid_29080
IUPAC Name 9-bromoanthracene
InChI Key ZIRVQSRSPDUEOJ-UHFFFAOYSA-N
Molecular Formula C14H9Br
3

9-Bromoanthracene 99.0+%, TCI America™

CAS: 1564-64-3 Molecular Formula: C14H9Br Molecular Weight (g/mol): 257.13 MDL Number: MFCD00001243 InChI Key: ZIRVQSRSPDUEOJ-UHFFFAOYSA-N Synonym: anthracene, 9-bromo,9-bromo anthracene,9-bromo-anthracene,9-anthracenyl bromide,9-bromanthracen,pubchem9183,9-bromoanthrene,acmc-209ddx,9-bromoanthracene,dsstox_cid_29080 PubChem CID: 74062 IUPAC Name: 9-bromoanthracene SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2Br

PubChem CID 74062
CAS 1564-64-3
Molecular Weight (g/mol) 257.13
MDL Number MFCD00001243
SMILES C1=CC=C2C(=C1)C=C3C=CC=CC3=C2Br
Synonym anthracene, 9-bromo,9-bromo anthracene,9-bromo-anthracene,9-anthracenyl bromide,9-bromanthracen,pubchem9183,9-bromoanthrene,acmc-209ddx,9-bromoanthracene,dsstox_cid_29080
IUPAC Name 9-bromoanthracene
InChI Key ZIRVQSRSPDUEOJ-UHFFFAOYSA-N
Molecular Formula C14H9Br
4

1,3-Diaminopyrene 98.0+%, TCI America™

CAS: 92821-64-2 Molecular Formula: C16H12N2 Molecular Weight (g/mol): 232.286 MDL Number: MFCD00142518 InChI Key: WOFKFNZIJZWWPZ-UHFFFAOYSA-N PubChem CID: 13262724 IUPAC Name: pyrene-1,3-diamine SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=C(C(=C43)C=C2)N)N

PubChem CID 13262724
CAS 92821-64-2
Molecular Weight (g/mol) 232.286
MDL Number MFCD00142518
SMILES C1=CC2=C3C(=C1)C=CC4=C(C=C(C(=C43)C=C2)N)N
IUPAC Name pyrene-1,3-diamine
InChI Key WOFKFNZIJZWWPZ-UHFFFAOYSA-N
Molecular Formula C16H12N2
5

3-Formylbenzonitrile 98.0+%, TCI America™

CAS: 24964-64-5 Molecular Formula: C8H5NO Molecular Weight (g/mol): 131.134 MDL Number: MFCD00003344 InChI Key: HGZJJKZPPMFIBU-UHFFFAOYSA-N Synonym: 3-cyanobenzaldehyde,m-cyanobenzaldehyde,benzonitrile, 3-formyl,m-formylbenzonitrile,m-cyanobenazldehyde,3-cyano benzaldehyde,3-formyl-benzonitrile,3-formylbenzenecarbonitrile,3cyano-benzaldehyde,m-cyano benzaldehyde PubChem CID: 90670 IUPAC Name: 3-formylbenzonitrile SMILES: C1=CC(=CC(=C1)C=O)C#N

PubChem CID 90670
CAS 24964-64-5
Molecular Weight (g/mol) 131.134
MDL Number MFCD00003344
SMILES C1=CC(=CC(=C1)C=O)C#N
Synonym 3-cyanobenzaldehyde,m-cyanobenzaldehyde,benzonitrile, 3-formyl,m-formylbenzonitrile,m-cyanobenazldehyde,3-cyano benzaldehyde,3-formyl-benzonitrile,3-formylbenzenecarbonitrile,3cyano-benzaldehyde,m-cyano benzaldehyde
IUPAC Name 3-formylbenzonitrile
InChI Key HGZJJKZPPMFIBU-UHFFFAOYSA-N
Molecular Formula C8H5NO
6

3-Bromo-4-fluoroaniline 97.0+%, TCI America™

CAS: 656-64-4 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.015 MDL Number: MFCD03788559 InChI Key: KOWPUNQBGWIERF-UHFFFAOYSA-N Synonym: 3-bromo-4-fluoro aniline,benzenamine, 3-bromo-4-fluoro,3-bromo-4-fluorobenzenamine,3-bromo-4-fluorophenylamine,3-bromo-4-fluoro-aniline,3-bromo-4-fluoro-phenylamine,pubchem2924,acmc-209nrn,3-bromo-4-fluoraniline,3-bromo 4-fluoro-aniline PubChem CID: 2779286 IUPAC Name: 3-bromo-4-fluoroaniline SMILES: C1=CC(=C(C=C1N)Br)F

PubChem CID 2779286
CAS 656-64-4
Molecular Weight (g/mol) 190.015
MDL Number MFCD03788559
SMILES C1=CC(=C(C=C1N)Br)F
Synonym 3-bromo-4-fluoro aniline,benzenamine, 3-bromo-4-fluoro,3-bromo-4-fluorobenzenamine,3-bromo-4-fluorophenylamine,3-bromo-4-fluoro-aniline,3-bromo-4-fluoro-phenylamine,pubchem2924,acmc-209nrn,3-bromo-4-fluoraniline,3-bromo 4-fluoro-aniline
IUPAC Name 3-bromo-4-fluoroaniline
InChI Key KOWPUNQBGWIERF-UHFFFAOYSA-N
Molecular Formula C6H5BrFN
7

4-Methoxybenzenediazonium Tetrafluoroborate 98.0+%, TCI America™

CAS: 459-64-3 Molecular Formula: C7H7BF4N2O Molecular Weight (g/mol): 221.95 MDL Number: MFCD00011897 InChI Key: CACFTKIREZJSIG-UHFFFAOYSA-J Synonym: 4-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzenediazoniumfluoroborate,4-methoxybenzene diazonium fluoroborate,acmc-1aeuk,ksc236e8f,4-methoxyphenyldiazonium tetrafluoroborate,p-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzene-1-diazonium; tetrafluoroboranuide PubChem CID: 517233 IUPAC Name: boron(3+) 4-methoxybenzene-1-diazonium tetrafluoride SMILES: [B+3].[F-].[F-].[F-].[F-].COC1=CC=C(C=C1)[N+]#N

PubChem CID 517233
CAS 459-64-3
Molecular Weight (g/mol) 221.95
MDL Number MFCD00011897
SMILES [B+3].[F-].[F-].[F-].[F-].COC1=CC=C(C=C1)[N+]#N
Synonym 4-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzenediazoniumfluoroborate,4-methoxybenzene diazonium fluoroborate,acmc-1aeuk,ksc236e8f,4-methoxyphenyldiazonium tetrafluoroborate,p-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzene-1-diazonium; tetrafluoroboranuide
IUPAC Name boron(3+) 4-methoxybenzene-1-diazonium tetrafluoride
InChI Key CACFTKIREZJSIG-UHFFFAOYSA-J
Molecular Formula C7H7BF4N2O
8

3-(Dimethylamino)benzoic Acid 98.0+%, TCI America™

CAS: 99-64-9 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00002497 InChI Key: NEGFNJRAUMCZMY-UHFFFAOYSA-N Synonym: 3-dimethylamino benzoic acid,benzoic acid, 3-dimethylamino,m-dimethylamino benzoic acid,m-dimethylaminobenzoic acid,n,n-dimethyl-m-aminobenzoic acid,3-dimethylamino-benzoic acid,3-n,n-dimethylaminobenzoic acid,benzoic acid, m-dimethylamino,m-dimethylamino-benzoic acid PubChem CID: 66837 IUPAC Name: 3-(dimethylamino)benzoic acid SMILES: CN(C)C1=CC=CC(=C1)C(=O)O

PubChem CID 66837
CAS 99-64-9
Molecular Weight (g/mol) 165.192
MDL Number MFCD00002497
SMILES CN(C)C1=CC=CC(=C1)C(=O)O
Synonym 3-dimethylamino benzoic acid,benzoic acid, 3-dimethylamino,m-dimethylamino benzoic acid,m-dimethylaminobenzoic acid,n,n-dimethyl-m-aminobenzoic acid,3-dimethylamino-benzoic acid,3-n,n-dimethylaminobenzoic acid,benzoic acid, m-dimethylamino,m-dimethylamino-benzoic acid
IUPAC Name 3-(dimethylamino)benzoic acid
InChI Key NEGFNJRAUMCZMY-UHFFFAOYSA-N
Molecular Formula C9H11NO2
9

1,2,3,4-Tetrahydronaphthalene 97.0+%, TCI America™

CAS: 119-64-2 Molecular Formula: C10H12 Molecular Weight (g/mol): 132.21 MDL Number: MFCD00001733 InChI Key: CXWXQJXEFPUFDZ-UHFFFAOYSA-N Synonym: tetralin,benzocyclohexane,tetrahydronaphthalene,bacticin,tetraline,tetranap,naphthalene, 1,2,3,4-tetrahydro,tetralina,naphthalene 1,2,3,4-tetrahydride,tetralene PubChem CID: 8404 ChEBI: CHEBI:35008 IUPAC Name: 1,2,3,4-tetrahydronaphthalene SMILES: C1CCC2=CC=CC=C2C1

PubChem CID 8404
CAS 119-64-2
Molecular Weight (g/mol) 132.21
ChEBI CHEBI:35008
MDL Number MFCD00001733
SMILES C1CCC2=CC=CC=C2C1
Synonym tetralin,benzocyclohexane,tetrahydronaphthalene,bacticin,tetraline,tetranap,naphthalene, 1,2,3,4-tetrahydro,tetralina,naphthalene 1,2,3,4-tetrahydride,tetralene
IUPAC Name 1,2,3,4-tetrahydronaphthalene
InChI Key CXWXQJXEFPUFDZ-UHFFFAOYSA-N
Molecular Formula C10H12
10

2,6-Dichlorobenzyl Cyanide 98.0+%, TCI America™

CAS: 3215-64-3 Molecular Formula: C8H5Cl2N Molecular Weight (g/mol): 186.035 MDL Number: MFCD00001901 InChI Key: AOEJUUCUKRUCEF-UHFFFAOYSA-N Synonym: 2,6-dichlorophenylacetonitrile,2,6-dichlorobenzyl cyanide,2-2,6-dichlorophenyl acetonitrile,2,6-dichlorophenyl acetonitrile,2,6-dichlorobenzeneacetonitrile,benzeneacetonitrile, 2,6-dichloro,acetonitrile, 2,6-dichlorophenyl,2,6-dichloro-phenyl-acetonitrile,2-2,6-dichlorophenyl ethanenitrile PubChem CID: 76678 IUPAC Name: 2-(2,6-dichlorophenyl)acetonitrile SMILES: C1=CC(=C(C(=C1)Cl)CC#N)Cl

PubChem CID 76678
CAS 3215-64-3
Molecular Weight (g/mol) 186.035
MDL Number MFCD00001901
SMILES C1=CC(=C(C(=C1)Cl)CC#N)Cl
Synonym 2,6-dichlorophenylacetonitrile,2,6-dichlorobenzyl cyanide,2-2,6-dichlorophenyl acetonitrile,2,6-dichlorophenyl acetonitrile,2,6-dichlorobenzeneacetonitrile,benzeneacetonitrile, 2,6-dichloro,acetonitrile, 2,6-dichlorophenyl,2,6-dichloro-phenyl-acetonitrile,2-2,6-dichlorophenyl ethanenitrile
IUPAC Name 2-(2,6-dichlorophenyl)acetonitrile
InChI Key AOEJUUCUKRUCEF-UHFFFAOYSA-N
Molecular Formula C8H5Cl2N
11

1,2,3,4-Tetrahydronaphthalene 98.0+%, TCI America™

CAS: 119-64-2 Molecular Formula: C10H12 Molecular Weight (g/mol): 132.21 MDL Number: MFCD00001733 InChI Key: CXWXQJXEFPUFDZ-UHFFFAOYSA-N Synonym: tetralin,benzocyclohexane,tetrahydronaphthalene,bacticin,tetraline,tetranap,naphthalene, 1,2,3,4-tetrahydro,tetralina,naphthalene 1,2,3,4-tetrahydride,tetralene PubChem CID: 8404 ChEBI: CHEBI:35008 IUPAC Name: 1,2,3,4-tetrahydronaphthalene SMILES: C1CCC2=CC=CC=C2C1

PubChem CID 8404
CAS 119-64-2
Molecular Weight (g/mol) 132.21
ChEBI CHEBI:35008
MDL Number MFCD00001733
SMILES C1CCC2=CC=CC=C2C1
Synonym tetralin,benzocyclohexane,tetrahydronaphthalene,bacticin,tetraline,tetranap,naphthalene, 1,2,3,4-tetrahydro,tetralina,naphthalene 1,2,3,4-tetrahydride,tetralene
IUPAC Name 1,2,3,4-tetrahydronaphthalene
InChI Key CXWXQJXEFPUFDZ-UHFFFAOYSA-N
Molecular Formula C10H12
12

4-Amino-3-chlorophenol Hydrochloride 98.0+%, TCI America™

CAS: 52671-64-4 Molecular Formula: C6H7Cl2NO Molecular Weight (g/mol): 180.028 MDL Number: MFCD00143110 InChI Key: RFJVQGMBFQGZPV-UHFFFAOYSA-N Synonym: 4-amino-3-chlorophenol hydrochloride,4-amino-3-chlorophenol hcl,2-chloro-4-hydroxyaniline hydrochloride,phenol, 4-amino-3-chloro-, hydrochloride,4-azanyl-3-chloranyl-phenol hydrochloride,c6h6clno.hcl,acmc-209l0t,ksc495i8f,4-amino-3-chlorophenol, chloride,3-chloro-4-aminophenol hydrochloride PubChem CID: 12598190 IUPAC Name: 4-amino-3-chlorophenol;hydrochloride SMILES: C1=CC(=C(C=C1O)Cl)N.Cl

PubChem CID 12598190
CAS 52671-64-4
Molecular Weight (g/mol) 180.028
MDL Number MFCD00143110
SMILES C1=CC(=C(C=C1O)Cl)N.Cl
Synonym 4-amino-3-chlorophenol hydrochloride,4-amino-3-chlorophenol hcl,2-chloro-4-hydroxyaniline hydrochloride,phenol, 4-amino-3-chloro-, hydrochloride,4-azanyl-3-chloranyl-phenol hydrochloride,c6h6clno.hcl,acmc-209l0t,ksc495i8f,4-amino-3-chlorophenol, chloride,3-chloro-4-aminophenol hydrochloride
IUPAC Name 4-amino-3-chlorophenol;hydrochloride
InChI Key RFJVQGMBFQGZPV-UHFFFAOYSA-N
Molecular Formula C6H7Cl2NO
13

3-Methyldiphenylamine 98.0+%, TCI America™

CAS: 1205-64-7 Molecular Formula: C13H13N Molecular Weight (g/mol): 183.254 MDL Number: MFCD00008530 InChI Key: TWPMMLHBHPYSMT-UHFFFAOYSA-N Synonym: 3-methyldiphenylamine,n-phenyl-m-toluidine,benzenamine, 3-methyl-n-phenyl,n-phenyl-3-methylaniline,3-methyl diphenylamine,3-methyl diphenyl amine,3-methyl-n-phenyl-aniline,n-3-methylphenyl-aniline,3-methylphenyl phenylamine,n-3-methylphenyl aniline PubChem CID: 14569 IUPAC Name: 3-methyl-N-phenylaniline SMILES: CC1=CC(=CC=C1)NC2=CC=CC=C2

PubChem CID 14569
CAS 1205-64-7
Molecular Weight (g/mol) 183.254
MDL Number MFCD00008530
SMILES CC1=CC(=CC=C1)NC2=CC=CC=C2
Synonym 3-methyldiphenylamine,n-phenyl-m-toluidine,benzenamine, 3-methyl-n-phenyl,n-phenyl-3-methylaniline,3-methyl diphenylamine,3-methyl diphenyl amine,3-methyl-n-phenyl-aniline,n-3-methylphenyl-aniline,3-methylphenyl phenylamine,n-3-methylphenyl aniline
IUPAC Name 3-methyl-N-phenylaniline
InChI Key TWPMMLHBHPYSMT-UHFFFAOYSA-N
Molecular Formula C13H13N
14

5-Methoxyresorcinol 95.0+%, TCI America™

CAS: 2174-64-3 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.138 MDL Number: MFCD00002285 InChI Key: HDVRLUFGYQYLFJ-UHFFFAOYSA-N Synonym: 5-methoxyresorcinol,flamenol,3,5-dihydroxyanisole,phloroglucinol monomethyl ether,1,3-benzenediol, 5-methoxy,5-methoxy-benzene-1,3-diol,unii-6201e0jif3,dsstox_cid_26525,dsstox_rid_81690,dsstox_gsid_46525 PubChem CID: 71648 IUPAC Name: 5-methoxybenzene-1,3-diol SMILES: COC1=CC(=CC(=C1)O)O

PubChem CID 71648
CAS 2174-64-3
Molecular Weight (g/mol) 140.138
MDL Number MFCD00002285
SMILES COC1=CC(=CC(=C1)O)O
Synonym 5-methoxyresorcinol,flamenol,3,5-dihydroxyanisole,phloroglucinol monomethyl ether,1,3-benzenediol, 5-methoxy,5-methoxy-benzene-1,3-diol,unii-6201e0jif3,dsstox_cid_26525,dsstox_rid_81690,dsstox_gsid_46525
IUPAC Name 5-methoxybenzene-1,3-diol
InChI Key HDVRLUFGYQYLFJ-UHFFFAOYSA-N
Molecular Formula C7H8O3
15

Ethyl 3-Carbamimidoylamino-4-methylbenzoate Nitrate 97.0+%, TCI America™

CAS: 641569-96-2 Molecular Formula: C11H16N4O5 Molecular Weight (g/mol): 284.27 MDL Number: MFCD11100711 InChI Key: YQMZYKJPGMVZJL-UHFFFAOYSA-N Synonym: 3-Carbamimidoylamino-4-methylbenzoic Acid Ethyl Ester Nitrate, Ethyl 3-Carbamimidoylamino-p-toluate Nitrate, 3-Carbamimidoylamino-p-toluic Acid Ethyl Ester Nitrate PubChem CID: 44181764 IUPAC Name: ethyl 3-[(diaminomethylidene)amino]-4-methylbenzoate; nitric acid SMILES: O[N+]([O-])=O.CCOC(=O)C1=CC(N=C(N)N)=C(C)C=C1

PubChem CID 44181764
CAS 641569-96-2
Molecular Weight (g/mol) 284.27
MDL Number MFCD11100711
SMILES O[N+]([O-])=O.CCOC(=O)C1=CC(N=C(N)N)=C(C)C=C1
Synonym 3-Carbamimidoylamino-4-methylbenzoic Acid Ethyl Ester Nitrate, Ethyl 3-Carbamimidoylamino-p-toluate Nitrate, 3-Carbamimidoylamino-p-toluic Acid Ethyl Ester Nitrate
IUPAC Name ethyl 3-[(diaminomethylidene)amino]-4-methylbenzoate; nitric acid
InChI Key YQMZYKJPGMVZJL-UHFFFAOYSA-N
Molecular Formula C11H16N4O5