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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 (76)
Phenols (16)
Naphthalenes (6)
Phenanthrenes and derivatives (5)
Anthracenes (3)
Pyrenes (3)

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1 – 15 of 46 results
1

2-Iodoaniline, 98%

CAS: 615-43-0 Molecular Formula: C6H6IN Molecular Weight (g/mol): 219.03 MDL Number: MFCD00007680 InChI Key: UBPDKIDWEADHPP-UHFFFAOYSA-N Synonym: o-iodoaniline,benzenamine, 2-iodo,2-iodo aniline,2-iodobenzenamine,o-aminoiodobenzene,aniline, o-iodo,aniline, 2-iodo,benzenamine, iodo,2-iodo-phenylamine,2-iodophenylamine PubChem CID: 11995 IUPAC Name: 2-iodoaniline SMILES: NC1=CC=CC=C1I

PubChem CID 11995
CAS 615-43-0
Molecular Weight (g/mol) 219.03
MDL Number MFCD00007680
SMILES NC1=CC=CC=C1I
Synonym o-iodoaniline,benzenamine, 2-iodo,2-iodo aniline,2-iodobenzenamine,o-aminoiodobenzene,aniline, o-iodo,aniline, 2-iodo,benzenamine, iodo,2-iodo-phenylamine,2-iodophenylamine
IUPAC Name 2-iodoaniline
InChI Key UBPDKIDWEADHPP-UHFFFAOYSA-N
Molecular Formula C6H6IN
2

1,1,4,4-Tetraphenyl-1,3-butadiene, 99%

CAS: 1450-63-1 Molecular Formula: C28H22 Molecular Weight (g/mol): 358.48 MDL Number: MFCD00004766 InChI Key: KLCLIOISYBHYDZ-UHFFFAOYSA-N Synonym: 1,1,4,4-tetraphenyl-1,3-butadiene,tetraphenylbutadiene,1,1,4,4-tetraphenylbutadiene,1,1,4,4-tetraphenylbuta-1,3-diene,1,3-butadiene, 1,1,4,4-tetraphenyl,benzene, 1,1',1,1'-1,3-butadiene-1,4-diylidene tetrakis,tetraphenyl butadiene,1,1',1,1'-1,3-butadiene-1,4-diylidene tetrabenzene,1,4,4-triphenyl-1,3-butadienyl benzene,1,4,4-tetraphenylbutadiene PubChem CID: 74060 IUPAC Name: 1,4,4-triphenylbuta-1,3-dienylbenzene SMILES: C(C=C(C1=CC=CC=C1)C1=CC=CC=C1)=C(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 74060
CAS 1450-63-1
Molecular Weight (g/mol) 358.48
MDL Number MFCD00004766
SMILES C(C=C(C1=CC=CC=C1)C1=CC=CC=C1)=C(C1=CC=CC=C1)C1=CC=CC=C1
Synonym 1,1,4,4-tetraphenyl-1,3-butadiene,tetraphenylbutadiene,1,1,4,4-tetraphenylbutadiene,1,1,4,4-tetraphenylbuta-1,3-diene,1,3-butadiene, 1,1,4,4-tetraphenyl,benzene, 1,1',1,1'-1,3-butadiene-1,4-diylidene tetrakis,tetraphenyl butadiene,1,1',1,1'-1,3-butadiene-1,4-diylidene tetrabenzene,1,4,4-triphenyl-1,3-butadienyl benzene,1,4,4-tetraphenylbutadiene
IUPAC Name 1,4,4-triphenylbuta-1,3-dienylbenzene
InChI Key KLCLIOISYBHYDZ-UHFFFAOYSA-N
Molecular Formula C28H22
3

2,3-Dicyanohydroquinone, 98%

CAS: 4733-50-0 MDL Number: MFCD00001790 InChI Key: MPAIWVOBMLSHQA-UHFFFAOYSA-N Synonym: 2,3-dicyanohydroquinone,3,6-dihydroxyphthalonitrile,2,3-dicyano-p-hydroquinone,3,6-dihydroxyphthalodinitrile,1,2-benzenedicarbonitrile, 3,6-dihydroxy,2,3-dicyanobenzene-1,4-diol,phthalonitrile, 3,6-dihydroxy,dicyanohydroquinone,2,3-dicyanohydroquinme,acmc-1asrw PubChem CID: 78467 IUPAC Name: 3,6-dihydroxybenzene-1,2-dicarbonitrile SMILES: C1=CC(=C(C(=C1O)C#N)C#N)O

PubChem CID 78467
CAS 4733-50-0
MDL Number MFCD00001790
SMILES C1=CC(=C(C(=C1O)C#N)C#N)O
Synonym 2,3-dicyanohydroquinone,3,6-dihydroxyphthalonitrile,2,3-dicyano-p-hydroquinone,3,6-dihydroxyphthalodinitrile,1,2-benzenedicarbonitrile, 3,6-dihydroxy,2,3-dicyanobenzene-1,4-diol,phthalonitrile, 3,6-dihydroxy,dicyanohydroquinone,2,3-dicyanohydroquinme,acmc-1asrw
IUPAC Name 3,6-dihydroxybenzene-1,2-dicarbonitrile
InChI Key MPAIWVOBMLSHQA-UHFFFAOYSA-N
4

trans-Styrylacetic acid, 96%

CAS: 1914-58-5 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00002783 InChI Key: PSCXFXNEYIHJST-QPJJXVBHSA-N Synonym: trans-styrylacetic acid,e-4-phenylbut-3-enoic acid,3e-4-phenylbut-3-enoic acid,4-phenyl-3-butenoic acid,3-butenoic acid, 4-phenyl,3-butenoic acid, 4-phenyl-, 3e,styrylacetic acid,e-4-phenyl-3-butenoic acid,e-styrylacetic acid PubChem CID: 5370625 SMILES: OC(=O)C\C=C\C1=CC=CC=C1

PubChem CID 5370625
CAS 1914-58-5
Molecular Weight (g/mol) 162.19
MDL Number MFCD00002783
SMILES OC(=O)C\C=C\C1=CC=CC=C1
Synonym trans-styrylacetic acid,e-4-phenylbut-3-enoic acid,3e-4-phenylbut-3-enoic acid,4-phenyl-3-butenoic acid,3-butenoic acid, 4-phenyl,3-butenoic acid, 4-phenyl-, 3e,styrylacetic acid,e-4-phenyl-3-butenoic acid,e-styrylacetic acid
InChI Key PSCXFXNEYIHJST-QPJJXVBHSA-N
Molecular Formula C10H10O2
6

2-Iodobenzyl alcohol, 99%

CAS: 5159-41-1 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.04 MDL Number: MFCD00004610 InChI Key: WZCXOBMFBKSSFA-UHFFFAOYSA-N Synonym: 2-iodobenzyl alcohol,2-iodophenyl methanol,o-iodobenzyl alcohol,2-iodobenzylalcohol,benzenemethanol, 2-iodo,2-iodobenzylic alcohol,2-jod-benzylalkohol,o-iodo benzylalcohol,2-iodo-benzyl alcohol PubChem CID: 107629 IUPAC Name: (2-iodophenyl)methanol SMILES: C1=CC=C(C(=C1)CO)I

PubChem CID 107629
CAS 5159-41-1
Molecular Weight (g/mol) 234.04
MDL Number MFCD00004610
SMILES C1=CC=C(C(=C1)CO)I
Synonym 2-iodobenzyl alcohol,2-iodophenyl methanol,o-iodobenzyl alcohol,2-iodobenzylalcohol,benzenemethanol, 2-iodo,2-iodobenzylic alcohol,2-jod-benzylalkohol,o-iodo benzylalcohol,2-iodo-benzyl alcohol
IUPAC Name (2-iodophenyl)methanol
InChI Key WZCXOBMFBKSSFA-UHFFFAOYSA-N
Molecular Formula C7H7IO
7

4-Chloro-1-naphthol, 97%

CAS: 604-44-4 Molecular Formula: C10H7ClO Molecular Weight (g/mol): 178.62 MDL Number: MFCD00003974 InChI Key: LVSPDZAGCBEQAV-UHFFFAOYSA-N Synonym: 4-chloro-1-naphthol,1-chloro-4-hydroxynaphthalene,1-naphthalenol, 4-chloro,4-chloro-1-naphthalenol,1-naphthol, 4-chloro,4-chloronaphthol,4-chloro-.alpha.-naphthol,4-chloro-1-hydroxynaphthalene,4-chloro-alpha-naphthol,acmc-20amm7 PubChem CID: 11787 IUPAC Name: 4-chloronaphthalen-1-ol SMILES: C1=CC=C2C(=C1)C(=CC=C2Cl)O

PubChem CID 11787
CAS 604-44-4
Molecular Weight (g/mol) 178.62
MDL Number MFCD00003974
SMILES C1=CC=C2C(=C1)C(=CC=C2Cl)O
Synonym 4-chloro-1-naphthol,1-chloro-4-hydroxynaphthalene,1-naphthalenol, 4-chloro,4-chloro-1-naphthalenol,1-naphthol, 4-chloro,4-chloronaphthol,4-chloro-.alpha.-naphthol,4-chloro-1-hydroxynaphthalene,4-chloro-alpha-naphthol,acmc-20amm7
IUPAC Name 4-chloronaphthalen-1-ol
InChI Key LVSPDZAGCBEQAV-UHFFFAOYSA-N
Molecular Formula C10H7ClO
8
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9-Anthracenecarboxaldehyde, 99%

CAS: 642-31-9 Molecular Formula: C15H10O Molecular Weight (g/mol): 206.24 MDL Number: MFCD00001254 InChI Key: YMNKUHIVVMFOFO-UHFFFAOYSA-N Synonym: 9-anthraldehyde,9-anthracenecarboxaldehyde,9-anthrylaldehyde,9-formylanthracene,9-anthracenecarbaldehyde,9-anthrylcarboxaldehyde,ccris 3165,nsc 15,anthracene-9-aldehyde,anthracene-9-carboxaldehyde PubChem CID: 69504 IUPAC Name: anthracene-9-carbaldehyde SMILES: O=CC1=C2C=CC=CC2=CC2=CC=CC=C12

PubChem CID 69504
CAS 642-31-9
Molecular Weight (g/mol) 206.24
MDL Number MFCD00001254
SMILES O=CC1=C2C=CC=CC2=CC2=CC=CC=C12
Synonym 9-anthraldehyde,9-anthracenecarboxaldehyde,9-anthrylaldehyde,9-formylanthracene,9-anthracenecarbaldehyde,9-anthrylcarboxaldehyde,ccris 3165,nsc 15,anthracene-9-aldehyde,anthracene-9-carboxaldehyde
IUPAC Name anthracene-9-carbaldehyde
InChI Key YMNKUHIVVMFOFO-UHFFFAOYSA-N
Molecular Formula C15H10O
9

3-Nitrostyrene, 97%, stabilized

CAS: 586-39-0 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00007276 InChI Key: SYZVQXIUVGKCBJ-UHFFFAOYSA-N Synonym: 3-nitrostyrene,1-nitro-3-vinylbenzene,m-nitrostyrene,benzene, 1-ethenyl-3-nitro,styrene, m-nitro,1-nitro-3-vinyl-benzene,3-nitrophenyl ethene,b-nitrostyrene,m-vinylnitrobenzene,3-ethenylnitrobenzene PubChem CID: 68514 IUPAC Name: 1-ethenyl-3-nitrobenzene SMILES: C=CC1=CC(=CC=C1)[N+](=O)[O-]

PubChem CID 68514
CAS 586-39-0
Molecular Weight (g/mol) 149.15
MDL Number MFCD00007276
SMILES C=CC1=CC(=CC=C1)[N+](=O)[O-]
Synonym 3-nitrostyrene,1-nitro-3-vinylbenzene,m-nitrostyrene,benzene, 1-ethenyl-3-nitro,styrene, m-nitro,1-nitro-3-vinyl-benzene,3-nitrophenyl ethene,b-nitrostyrene,m-vinylnitrobenzene,3-ethenylnitrobenzene
IUPAC Name 1-ethenyl-3-nitrobenzene
InChI Key SYZVQXIUVGKCBJ-UHFFFAOYSA-N
Molecular Formula C8H7NO2
10

4-Iodoaniline, 99%

CAS: 540-37-4 Molecular Formula: C6H6IN Molecular Weight (g/mol): 219.02 InChI Key: VLVCDUSVTXIWGW-UHFFFAOYSA-N Synonym: p-iodoaniline,benzenamine, 4-iodo,4-iodobenzenamine,aniline, p-iodo,p-aminophenyl iodide,aniline, 4-iodo,4-iodo-aniline,4-iodophenylamine,4-iodo-benzenamine,4-iodo-phenylamine PubChem CID: 10893 IUPAC Name: 4-iodoaniline SMILES: C1=CC(=CC=C1N)I

PubChem CID 10893
CAS 540-37-4
Molecular Weight (g/mol) 219.02
SMILES C1=CC(=CC=C1N)I
Synonym p-iodoaniline,benzenamine, 4-iodo,4-iodobenzenamine,aniline, p-iodo,p-aminophenyl iodide,aniline, 4-iodo,4-iodo-aniline,4-iodophenylamine,4-iodo-benzenamine,4-iodo-phenylamine
IUPAC Name 4-iodoaniline
InChI Key VLVCDUSVTXIWGW-UHFFFAOYSA-N
Molecular Formula C6H6IN
11

1,2,4,5-Tetrabromobenzene, 97%

CAS: 636-28-2 Molecular Formula: C6H2Br4 Molecular Weight (g/mol): 393.70 MDL Number: MFCD00000063 InChI Key: QCKHVNQHBOGZER-UHFFFAOYSA-N PubChem CID: 12486 IUPAC Name: 1,2,4,5-tetrabromobenzene SMILES: BrC1=CC(Br)=C(Br)C=C1Br

PubChem CID 12486
CAS 636-28-2
Molecular Weight (g/mol) 393.70
MDL Number MFCD00000063
SMILES BrC1=CC(Br)=C(Br)C=C1Br
IUPAC Name 1,2,4,5-tetrabromobenzene
InChI Key QCKHVNQHBOGZER-UHFFFAOYSA-N
Molecular Formula C6H2Br4
12
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2-Methyl-4-nitroaniline, 99%

CAS: 99-52-5 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007734 InChI Key: XTTIQGSLJBWVIV-UHFFFAOYSA-N Synonym: 2-amino-5-nitrotoluene,4-nitro-o-toluidine,5-nitro-2-aminotoluene,p-nitro-o-toluidine,benzenamine, 2-methyl-4-nitro,fast red rl base,1-amino-2-methyl-4-nitrobenzene,diabase red rl,ansibases red rl,devol red rl PubChem CID: 7441 IUPAC Name: 2-methyl-4-nitroaniline SMILES: CC1=CC(=CC=C1N)[N+]([O-])=O

PubChem CID 7441
CAS 99-52-5
Molecular Weight (g/mol) 152.15
MDL Number MFCD00007734
SMILES CC1=CC(=CC=C1N)[N+]([O-])=O
Synonym 2-amino-5-nitrotoluene,4-nitro-o-toluidine,5-nitro-2-aminotoluene,p-nitro-o-toluidine,benzenamine, 2-methyl-4-nitro,fast red rl base,1-amino-2-methyl-4-nitrobenzene,diabase red rl,ansibases red rl,devol red rl
IUPAC Name 2-methyl-4-nitroaniline
InChI Key XTTIQGSLJBWVIV-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
13

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
14

4,5-Dimethoxy-2-nitrobenzyl bromide, 97%

CAS: 53413-67-5 Molecular Formula: C9H10BrNO4 Molecular Weight (g/mol): 276.09 InChI Key: UEKFEYNZISYRRH-UHFFFAOYSA-N Synonym: 1-bromomethyl-4,5-dimethoxy-2-nitrobenzene,4,5-dimethoxy-2-nitrobenzyl bromide,1-bromomethyl-2-nitro-4,5-dimethoxybenzene,bmndmb,benzene, 1-bromomethyl-4,5-dimethoxy-2-nitro,6-nitroveratryl bromide,acmc-1ao6p,4,5-dimenoxy-2-nitrobenzyl bromide,2-nitro-4,5-dimethoxybenzyl bromide,1-bromomethyl-4,5-dimethoxynitrobenzene PubChem CID: 3016812 IUPAC Name: 1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene SMILES: COC1=C(C=C(C(=C1)CBr)[N+](=O)[O-])OC

PubChem CID 3016812
CAS 53413-67-5
Molecular Weight (g/mol) 276.09
SMILES COC1=C(C=C(C(=C1)CBr)[N+](=O)[O-])OC
Synonym 1-bromomethyl-4,5-dimethoxy-2-nitrobenzene,4,5-dimethoxy-2-nitrobenzyl bromide,1-bromomethyl-2-nitro-4,5-dimethoxybenzene,bmndmb,benzene, 1-bromomethyl-4,5-dimethoxy-2-nitro,6-nitroveratryl bromide,acmc-1ao6p,4,5-dimenoxy-2-nitrobenzyl bromide,2-nitro-4,5-dimethoxybenzyl bromide,1-bromomethyl-4,5-dimethoxynitrobenzene
IUPAC Name 1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene
InChI Key UEKFEYNZISYRRH-UHFFFAOYSA-N
Molecular Formula C9H10BrNO4
15

3,3',4,4'-Benzophenonetetracarboxylic dianhydride, 97+%

CAS: 2421-28-5 Molecular Formula: C17H6O7 Molecular Weight (g/mol): 322.22 MDL Number: MFCD00005923 InChI Key: VQVIHDPBMFABCQ-UHFFFAOYSA-N Synonym: 3,3',4,4'-benzophenonetetracarboxylic dianhydride,benzophenonetetracarboxylic dianhydride,benzophenonetetracarboxylic acid dianhydride,1,3-isobenzofurandione, 5,5'-carbonylbis,4,4'-carbonylbis phthalic anhydride,4,4'-carbonyldiphthalic anhydride,4,4'-diphthalic anhydride ketone,benzophenonetetracarboxylic anhydride,phthalic anhydride, 4,4'-carbonyldi,unii-y61gva8097 PubChem CID: 75498 IUPAC Name: 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione SMILES: C1=CC2=C(C=C1C(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O

PubChem CID 75498
CAS 2421-28-5
Molecular Weight (g/mol) 322.22
MDL Number MFCD00005923
SMILES C1=CC2=C(C=C1C(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O
Synonym 3,3',4,4'-benzophenonetetracarboxylic dianhydride,benzophenonetetracarboxylic dianhydride,benzophenonetetracarboxylic acid dianhydride,1,3-isobenzofurandione, 5,5'-carbonylbis,4,4'-carbonylbis phthalic anhydride,4,4'-carbonyldiphthalic anhydride,4,4'-diphthalic anhydride ketone,benzophenonetetracarboxylic anhydride,phthalic anhydride, 4,4'-carbonyldi,unii-y61gva8097
IUPAC Name 5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione
InChI Key VQVIHDPBMFABCQ-UHFFFAOYSA-N
Molecular Formula C17H6O7