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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 (66)
Phenols (21)
Naphthalenes (13)
Phenanthrenes and derivatives (8)
Fluorenes (7)
Anthracenes (4)
Ellagic acids and derivatives (3)
Indanes (2)
Naphthacenes (2)
Pentacenes (2)
Pyrenes (1)

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1 – 15 of 73 results
1

Dibenzoyl peroxide, 75%, remainder water

CAS: 94-36-0 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00003071 InChI Key: OMPJBNCRMGITSC-UHFFFAOYSA-N Synonym: benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide PubChem CID: 7187 ChEBI: CHEBI:82405 IUPAC Name: benzoyl benzenecarboperoxoate SMILES: C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2

PubChem CID 7187
CAS 94-36-0
Molecular Weight (g/mol) 242.23
ChEBI CHEBI:82405
MDL Number MFCD00003071
SMILES C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
Synonym benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide
IUPAC Name benzoyl benzenecarboperoxoate
InChI Key OMPJBNCRMGITSC-UHFFFAOYSA-N
Molecular Formula C14H10O4
2

Pentacene (purified by sublimation), TCI America™

CAS: 135-48-8 Molecular Formula: C22H14 Molecular Weight (g/mol): 278.35 MDL Number: MFCD00003710 InChI Key: SLIUAWYAILUBJU-UHFFFAOYSA-N Synonym: benzo b naphthacene,lin-dibenzanthracene,lin-naphthoanthracene,2,3:6,7-dibenzanthracene,unii-9fqu5ha0uy,9fqu5ha0uy,pentacen-2-yl,pentacene,2,7-dibenzanthracene PubChem CID: 8671 ChEBI: CHEBI:33148 IUPAC Name: pentacene SMILES: C1=CC2=CC3=CC4=CC5=CC=CC=C5C=C4C=C3C=C2C=C1

PubChem CID 8671
CAS 135-48-8
Molecular Weight (g/mol) 278.35
ChEBI CHEBI:33148
MDL Number MFCD00003710
SMILES C1=CC2=CC3=CC4=CC5=CC=CC=C5C=C4C=C3C=C2C=C1
Synonym benzo b naphthacene,lin-dibenzanthracene,lin-naphthoanthracene,2,3:6,7-dibenzanthracene,unii-9fqu5ha0uy,9fqu5ha0uy,pentacen-2-yl,pentacene,2,7-dibenzanthracene
IUPAC Name pentacene
InChI Key SLIUAWYAILUBJU-UHFFFAOYSA-N
Molecular Formula C22H14
3

1,4-Naphthoquinone, 99%, contains up to 6% water

CAS: 130-15-4 Molecular Formula: C10H6O2 Molecular Weight (g/mol): 158.16 MDL Number: MFCD00001676 InChI Key: FRASJONUBLZVQX-UHFFFAOYSA-N Synonym: 1,4-naphthoquinone,1,4-naphthalenedione,p-naphthoquinone,naphthoquinone,alpha-naphthoquinone,1,4-naphthylquinone,usaf cy-10,1,4-dihydronaphthalene-1,4-dione,1,4-dihydro-1,4-diketonaphthalene,1,4-naftochinon PubChem CID: 8530 ChEBI: CHEBI:27418 IUPAC Name: naphthalene-1,4-dione SMILES: C1=CC=C2C(=O)C=CC(=O)C2=C1

PubChem CID 8530
CAS 130-15-4
Molecular Weight (g/mol) 158.16
ChEBI CHEBI:27418
MDL Number MFCD00001676
SMILES C1=CC=C2C(=O)C=CC(=O)C2=C1
Synonym 1,4-naphthoquinone,1,4-naphthalenedione,p-naphthoquinone,naphthoquinone,alpha-naphthoquinone,1,4-naphthylquinone,usaf cy-10,1,4-dihydronaphthalene-1,4-dione,1,4-dihydro-1,4-diketonaphthalene,1,4-naftochinon
IUPAC Name naphthalene-1,4-dione
InChI Key FRASJONUBLZVQX-UHFFFAOYSA-N
Molecular Formula C10H6O2
4

Naphthacene (purified by sublimation) 98.0+%, TCI America™

CAS: 92-24-0 Molecular Formula: C18H12 Molecular Weight (g/mol): 228.294 MDL Number: MFCD00003702 InChI Key: IFLREYGFSNHWGE-UHFFFAOYSA-N Synonym: naphthacene,2,3-benzanthracene,rubene,benz b anthracene,2,3-benzanthrene,chrysogen,hydrocarbon,unii-qyj5z6712r,ccris 1183 PubChem CID: 7080 ChEBI: CHEBI:32600 IUPAC Name: tetracene SMILES: C1=CC=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1

PubChem CID 7080
CAS 92-24-0
Molecular Weight (g/mol) 228.294
ChEBI CHEBI:32600
MDL Number MFCD00003702
SMILES C1=CC=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1
Synonym naphthacene,2,3-benzanthracene,rubene,benz b anthracene,2,3-benzanthrene,chrysogen,hydrocarbon,unii-qyj5z6712r,ccris 1183
IUPAC Name tetracene
InChI Key IFLREYGFSNHWGE-UHFFFAOYSA-N
Molecular Formula C18H12
5

Triphenylene (purified by sublimation) 98.0+%, TCI America™

CAS: 217-59-4 Molecular Formula: C18H12 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00001108 InChI Key: SLGBZMMZGDRARJ-UHFFFAOYSA-N Synonym: 9,10-benzophenanthrene,isochrysene,9,10-benzphenanthrene,benzo l phenanthrene,1,2,3,4-dibenznaphthalene,benzophenanthrene,1,2:3,4-dibenznaphthalene,ccris 1301,triphenylen-1-yl PubChem CID: 9170 ChEBI: CHEBI:33080 IUPAC Name: triphenylene SMILES: C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21

PubChem CID 9170
CAS 217-59-4
Molecular Weight (g/mol) 228.29
ChEBI CHEBI:33080
MDL Number MFCD00001108
SMILES C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21
Synonym 9,10-benzophenanthrene,isochrysene,9,10-benzphenanthrene,benzo l phenanthrene,1,2,3,4-dibenznaphthalene,benzophenanthrene,1,2:3,4-dibenznaphthalene,ccris 1301,triphenylen-1-yl
IUPAC Name triphenylene
InChI Key SLGBZMMZGDRARJ-UHFFFAOYSA-N
Molecular Formula C18H12
6

Hematoxylin hydrate, 80% (dry wt.), water <8%

CAS: 517-28-2 Molecular Formula: C16H14O6 Molecular Weight (g/mol): 302.28 MDL Number: MFCD00078111 InChI Key: WZUVPPKBWHMQCE-WKTCHCBJNA-N Synonym: hematoxylin,hydroxybrasilin PubChem CID: 45029742 IUPAC Name: (6aR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol SMILES: [H][C@]12C3=C(C[C@@]1(O)COC1=C2C=CC(O)=C1O)C=C(O)C(O)=C3

PubChem CID 45029742
CAS 517-28-2
Molecular Weight (g/mol) 302.28
MDL Number MFCD00078111
SMILES [H][C@]12C3=C(C[C@@]1(O)COC1=C2C=CC(O)=C1O)C=C(O)C(O)=C3
Synonym hematoxylin,hydroxybrasilin
IUPAC Name (6aR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
InChI Key WZUVPPKBWHMQCE-WKTCHCBJNA-N
Molecular Formula C16H14O6
7

Dibenzoyl peroxide, 97% (dry wt.), wet with 25% water

CAS: 94-36-0 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00003071 InChI Key: OMPJBNCRMGITSC-UHFFFAOYSA-N Synonym: benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide PubChem CID: 7187 ChEBI: CHEBI:82405 IUPAC Name: benzoyl benzenecarboperoxoate SMILES: C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2

PubChem CID 7187
CAS 94-36-0
Molecular Weight (g/mol) 242.23
ChEBI CHEBI:82405
MDL Number MFCD00003071
SMILES C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
Synonym benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide
IUPAC Name benzoyl benzenecarboperoxoate
InChI Key OMPJBNCRMGITSC-UHFFFAOYSA-N
Molecular Formula C14H10O4
8

Tetrafluorotetracyanoquinodimethane (purified by sublimation) 98.0+%, TCI America™

CAS: 29261-33-4 Molecular Formula: C12F4N4 Molecular Weight (g/mol): 276.154 MDL Number: MFCD00042382 InChI Key: IXHWGNYCZPISET-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane,2,2'-perfluorocyclohexa-2,5-diene-1,4-diylidene dimalononitrile,tcnqf4,2,3,5,6-tetrafluorotetracyanoquinodimethane,f4-tcnq,tetrafluorotetracyanoquinodimethane,2-4-dicyanomethylidene-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene propanedinitrile,f4tcnq,tetrafluorotetracyanoquinodimethane anion radical,tetrafluorotetracyanoquinodimethane purifiedbysubl PubChem CID: 2733307 IUPAC Name: 2-[4-(dicyanomethylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile SMILES: C(#N)C(=C1C(=C(C(=C(C#N)C#N)C(=C1F)F)F)F)C#N

PubChem CID 2733307
CAS 29261-33-4
Molecular Weight (g/mol) 276.154
MDL Number MFCD00042382
SMILES C(#N)C(=C1C(=C(C(=C(C#N)C#N)C(=C1F)F)F)F)C#N
Synonym 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane,2,2'-perfluorocyclohexa-2,5-diene-1,4-diylidene dimalononitrile,tcnqf4,2,3,5,6-tetrafluorotetracyanoquinodimethane,f4-tcnq,tetrafluorotetracyanoquinodimethane,2-4-dicyanomethylidene-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene propanedinitrile,f4tcnq,tetrafluorotetracyanoquinodimethane anion radical,tetrafluorotetracyanoquinodimethane purifiedbysubl
IUPAC Name 2-[4-(dicyanomethylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile
InChI Key IXHWGNYCZPISET-UHFFFAOYSA-N
Molecular Formula C12F4N4
9

2-Nitrophenylhydrazine, 97%, moistened with ca 30% water

CAS: 3034-19-3 Molecular Formula: C6H7N3O2 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007577 InChI Key: FRBUNLLUASHNDJ-UHFFFAOYSA-N Synonym: 2-nitrophenyl hydrazine,hydrazine, nitrophenyl,hydrazine, o-nitrophenyl,o-nitrophenylhydrazine,hydrazine, 2-nitrophenyl,2-nitrophenylhrdrazine,2-nitrophenyl diazane,pubchem12859,acmc-1agti,o-nitrophenyl hydrazine PubChem CID: 3314739 IUPAC Name: (2-nitrophenyl)hydrazine SMILES: C1=CC=C(C(=C1)NN)[N+](=O)[O-]

PubChem CID 3314739
CAS 3034-19-3
Molecular Weight (g/mol) 153.14
MDL Number MFCD00007577
SMILES C1=CC=C(C(=C1)NN)[N+](=O)[O-]
Synonym 2-nitrophenyl hydrazine,hydrazine, nitrophenyl,hydrazine, o-nitrophenyl,o-nitrophenylhydrazine,hydrazine, 2-nitrophenyl,2-nitrophenylhrdrazine,2-nitrophenyl diazane,pubchem12859,acmc-1agti,o-nitrophenyl hydrazine
IUPAC Name (2-nitrophenyl)hydrazine
InChI Key FRBUNLLUASHNDJ-UHFFFAOYSA-N
Molecular Formula C6H7N3O2
10

(Formylmethylene)triphenylphosphorane, 97%, may cont. up to ca 3% water

CAS: 2136-75-6 Molecular Formula: C20H17OP Molecular Weight (g/mol): 304.329 MDL Number: MFCD00006994 InChI Key: CQCAYWAIRTVXIY-UHFFFAOYSA-N Synonym: 2-triphenylphosphoranylidene acetaldehyde,formylmethylene triphenylphosphorane,triphenylphosphoranylidene acetaldehyde,formylmethylenetriphenylphosphorane,acetaldehyde, triphenylphosphoranylidene,2-triphenyl-??-phosphanylidene acetaldehyde,acmc-209fjg,ksc492c5l PubChem CID: 75051 IUPAC Name: 2-(triphenyl-$l^{5}-phosphanylidene)acetaldehyde SMILES: C1=CC=C(C=C1)P(=CC=O)(C2=CC=CC=C2)C3=CC=CC=C3

PubChem CID 75051
CAS 2136-75-6
Molecular Weight (g/mol) 304.329
MDL Number MFCD00006994
SMILES C1=CC=C(C=C1)P(=CC=O)(C2=CC=CC=C2)C3=CC=CC=C3
Synonym 2-triphenylphosphoranylidene acetaldehyde,formylmethylene triphenylphosphorane,triphenylphosphoranylidene acetaldehyde,formylmethylenetriphenylphosphorane,acetaldehyde, triphenylphosphoranylidene,2-triphenyl-??-phosphanylidene acetaldehyde,acmc-209fjg,ksc492c5l
IUPAC Name 2-(triphenyl-$l^{5}-phosphanylidene)acetaldehyde
InChI Key CQCAYWAIRTVXIY-UHFFFAOYSA-N
Molecular Formula C20H17OP
11

1,4-Naphthoquinone, 97+% (dry wt.), cont. up to 5% water

CAS: 130-15-4 Molecular Formula: C10H6O2 Molecular Weight (g/mol): 158.156 MDL Number: MFCD00001676 InChI Key: FRASJONUBLZVQX-UHFFFAOYSA-N Synonym: 1,4-naphthoquinone,1,4-naphthalenedione,p-naphthoquinone,naphthoquinone,alpha-naphthoquinone,1,4-naphthylquinone,usaf cy-10,1,4-dihydronaphthalene-1,4-dione,1,4-dihydro-1,4-diketonaphthalene,1,4-naftochinon PubChem CID: 8530 ChEBI: CHEBI:27418 IUPAC Name: naphthalene-1,4-dione SMILES: C1=CC=C2C(=O)C=CC(=O)C2=C1

PubChem CID 8530
CAS 130-15-4
Molecular Weight (g/mol) 158.156
ChEBI CHEBI:27418
MDL Number MFCD00001676
SMILES C1=CC=C2C(=O)C=CC(=O)C2=C1
Synonym 1,4-naphthoquinone,1,4-naphthalenedione,p-naphthoquinone,naphthoquinone,alpha-naphthoquinone,1,4-naphthylquinone,usaf cy-10,1,4-dihydronaphthalene-1,4-dione,1,4-dihydro-1,4-diketonaphthalene,1,4-naftochinon
IUPAC Name naphthalene-1,4-dione
InChI Key FRASJONUBLZVQX-UHFFFAOYSA-N
Molecular Formula C10H6O2
12

2,4-Dinitroaniline, 99% (dry wt.), cont. up to 15% water

CAS: 97-02-9 Molecular Formula: C6H5N3O4 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007151 InChI Key: LXQOQPGNCGEELI-UHFFFAOYSA-N Synonym: benzenamine, 2,4-dinitro,1-amino-2,4-dinitrobenzene,2,4-dinitroanilin,2,4-dinitrobenzenamine,2,4-dinitroanilina,2,4-dinitraniline,2,4-dinitrophenylamine,aniline, 2,4-dinitro,2,4-dinitroaminobenzene,2,4-nitroaniline PubChem CID: 7321 ChEBI: CHEBI:34242 IUPAC Name: 2,4-dinitroaniline SMILES: NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O

PubChem CID 7321
CAS 97-02-9
Molecular Weight (g/mol) 183.12
ChEBI CHEBI:34242
MDL Number MFCD00007151
SMILES NC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
Synonym benzenamine, 2,4-dinitro,1-amino-2,4-dinitrobenzene,2,4-dinitroanilin,2,4-dinitrobenzenamine,2,4-dinitroanilina,2,4-dinitraniline,2,4-dinitrophenylamine,aniline, 2,4-dinitro,2,4-dinitroaminobenzene,2,4-nitroaniline
IUPAC Name 2,4-dinitroaniline
InChI Key LXQOQPGNCGEELI-UHFFFAOYSA-N
Molecular Formula C6H5N3O4
13

Ellagic acid hydrate, 97%, may cont. up to 12% water

CAS: 476-66-4 Molecular Formula: C14H6O8 Molecular Weight (g/mol): 302.19 MDL Number: MFCD00006914 InChI Key: AFSDNFLWKVMVRB-UHFFFAOYSA-N Synonym: ellagic acid,benzoaric acid,lagistase,eleagic acid,alizarine yellow,elagostasine,2,3,7,8-tetrahydroxychromeno 5,4,3-cde chromene-5,10-dione,ellagic acid dihydrate,llagic acid,acide ellagique PubChem CID: 5281855 ChEBI: CHEBI:4775 IUPAC Name: 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione SMILES: OC1=CC2=C3C(OC(=O)C4=CC(O)=C(O)C(OC2=O)=C34)=C1O

PubChem CID 5281855
CAS 476-66-4
Molecular Weight (g/mol) 302.19
ChEBI CHEBI:4775
MDL Number MFCD00006914
SMILES OC1=CC2=C3C(OC(=O)C4=CC(O)=C(O)C(OC2=O)=C34)=C1O
Synonym ellagic acid,benzoaric acid,lagistase,eleagic acid,alizarine yellow,elagostasine,2,3,7,8-tetrahydroxychromeno 5,4,3-cde chromene-5,10-dione,ellagic acid dihydrate,llagic acid,acide ellagique
IUPAC Name 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
InChI Key AFSDNFLWKVMVRB-UHFFFAOYSA-N
Molecular Formula C14H6O8
14

3,4-Benzopyrene (purified by sublimation) 95.0+%, TCI America™

CAS: 50-32-8 Molecular Formula: C20H12 Molecular Weight (g/mol): 252.32 MDL Number: MFCD00003602 InChI Key: FMMWHPNWAFZXNH-UHFFFAOYSA-N Synonym: benzo a pyrene,3,4-benzopyrene,benzo pqr tetraphene,3,4-benzpyrene,benzpyrene,benzo def chrysene,6,7-benzopyrene,benz a pyrene,3,4-benz a pyrene PubChem CID: 2336 ChEBI: CHEBI:29865 IUPAC Name: pentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene SMILES: C1=CC=C2C(=C1)C=C1C=CC3=CC=CC4=CC=C2C1=C34

PubChem CID 2336
CAS 50-32-8
Molecular Weight (g/mol) 252.32
ChEBI CHEBI:29865
MDL Number MFCD00003602
SMILES C1=CC=C2C(=C1)C=C1C=CC3=CC=CC4=CC=C2C1=C34
Synonym benzo a pyrene,3,4-benzopyrene,benzo pqr tetraphene,3,4-benzpyrene,benzpyrene,benzo def chrysene,6,7-benzopyrene,benz a pyrene,3,4-benz a pyrene
IUPAC Name pentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene
InChI Key FMMWHPNWAFZXNH-UHFFFAOYSA-N
Molecular Formula C20H12
15

p-Terphenyl (purified by sublimation) 99.5+%, TCI America™

CAS: 92-94-4 Molecular Formula: C18H14 Molecular Weight (g/mol): 230.31 MDL Number: MFCD00003061 InChI Key: XJKSTNDFUHDPQJ-UHFFFAOYSA-N Synonym: p-terphenyl,1,1':4',1-terphenyl,p-diphenylbenzene,p-triphenyl,santowax p,4-phenylbiphenyl,4-phenyldiphenyl,para-terphenyl,biphenyl, 4-phenyl,pyrogallol tannin PubChem CID: 7115 ChEBI: CHEBI:52242 IUPAC Name: 1,4-diphenylbenzene SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3

PubChem CID 7115
CAS 92-94-4
Molecular Weight (g/mol) 230.31
ChEBI CHEBI:52242
MDL Number MFCD00003061
SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3
Synonym p-terphenyl,1,1':4',1-terphenyl,p-diphenylbenzene,p-triphenyl,santowax p,4-phenylbiphenyl,4-phenyldiphenyl,para-terphenyl,biphenyl, 4-phenyl,pyrogallol tannin
IUPAC Name 1,4-diphenylbenzene
InChI Key XJKSTNDFUHDPQJ-UHFFFAOYSA-N
Molecular Formula C18H14