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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 (7,706)
Phenols (1,567)
Naphthalenes (423)
Thiophenols (136)
Fluorenes (132)
Unsubstituted Phenols (87)
Anthracenes (69)
Phenol esters (67)
Phenanthrenes and derivatives (57)
Triphenyl compounds (54)
Indanes (42)
Tetralins (42)
Pyrenes (37)
Ellagic acids and derivatives (7)
Pentacenequinones (7)
Naphthacenes (6)
Dibenzocycloheptenes (5)
Pentacenes (2)

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1
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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
2
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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
3

3-Chloroperoxybenzoic Acid, 70-75%, balance 3-Chlorobenzoic Acid and water

3-Chloroperoxybenzoic acid, 70-75%, C7H5ClO3, CAS Number-937-14-4, 535-80-8, 7732-18-5 | CAS: 937-14-4 | C7H5ClO3 | 172.56 g/mol

Linear Formula ClC6H4CO3H
Molecular Weight (g/mol) 172.56
ChEBI CHEBI:52091
CAS Min % 25.0
InChI Key NHQDETIJWKXCTC-UHFFFAOYSA-N
Density 0.5600g/mL
PubChem CID 70297
Name Note 70 - 75%
Percent Purity 70-75%
Fieser 01,135; 02,68; 03,49; 04,85; 05,120; 06,110; 07,62; 08,97; 09,108; 10,92; 11,122; 12,118; 13,76; 15,86; 16,80; 17,76
RTECS Number SD9470000
Formula Weight 172.57
Melting Point 92.0°C to 94.0°C
CAS Max % 30.0
Color White
Physical Form Moist Powder
SMILES OOC(=O)C1=CC=CC(Cl)=C1
Merck Index 15,2154
Assay Percent Range di-m-Chlorobenzoyl peroxide: < 0.1% Typical (HPLC)
CAS 7732-18-5
Health Hazard 3 GHS P Statement
Wear protective gloves/protective clothing/eye protection/face protection.
Keep away from heat/sparks/open flames/hot surfaces.
- No smoking.
Keep/Store away from clothing/ combustible materials.
IF SWALLOWED: rin
MDL Number MFCD00002127
Health Hazard 2 GHS H Statement
Causes severe skin burns and eye damage.
Harmful if swallowed.
Heating may cause a fire.
Solubility Information Solubility in water: insoluble. Other solubilities: soluble in koh, soluble in chloroform and acetone
Health Hazard 1 GHS Signal Word: Danger
Synonym 3-chloroperoxybenzoic acid,3-chloroperbenzoic acid,mcpba,m-chloroperbenzoic acid,m-chloroperoxybenzoic acid,meta-chloroperoxybenzoic acid,benzenecarboperoxoic acid, 3-chloro,m-chlorobenzoyl hydroperoxide,meta-chloroperbenzoic acid,3-chlorobenzoperoxoic acid
TSCA TSCA
IUPAC Name 3-chlorobenzenecarboperoxoic acid
Beilstein 09,IV,972
Molecular Formula C7H5ClO3
EINECS Number 213-322-3
Specific Gravity 0.56
5
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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
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

Phenol Solution, Macron Fine Chemicals™

CAS: 108-95-2 Molecular Formula: C6H6O Molecular Weight (g/mol): 94.11 MDL Number: MFCD00002143 InChI Key: ISWSIDIOOBJBQZ-UHFFFAOYSA-N Synonym: carbolic acid,hydroxybenzene,phenic acid,phenylic acid,oxybenzene,benzenol,phenyl hydrate,monophenol,phenyl hydroxide,phenylic alcohol PubChem CID: 996 ChEBI: CHEBI:15882 IUPAC Name: phenol SMILES: OC1=CC=CC=C1

PubChem CID 996
CAS 108-95-2
Molecular Weight (g/mol) 94.11
ChEBI CHEBI:15882
MDL Number MFCD00002143
SMILES OC1=CC=CC=C1
Synonym carbolic acid,hydroxybenzene,phenic acid,phenylic acid,oxybenzene,benzenol,phenyl hydrate,monophenol,phenyl hydroxide,phenylic alcohol
IUPAC Name phenol
InChI Key ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Molecular Formula C6H6O
8
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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
9
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(R)-(+)-2-Methyl-CBS-oxazaborolidine, 1M solution in toluene

CAS: 112022-83-0 Molecular Formula: C18H20BNO Molecular Weight (g/mol): 277.17 MDL Number: MFCD00078440 InChI Key: VMKAFJQFKBASMU-QGZVFWFLSA-N Synonym: r-2-methyl-cbs-oxazaborolidine,r-methyl oxazaborolidine,r-+-2-methyl-cbs-oxazaborolidine,r-5,5-diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine,r-1-methyl-3,3-diphenylhexahydropyrrolo 1,2-c 1,3,2 oxazaborole,r-me-cbs catalyst,r-3,3-diphenyl-1-methylpyrrolidino 1,2-c-1,3,2-oxazaborole,r-me cbs,r-tetrahydro-1-methyl-3,3-diphenyl-1h,3h-pyrrolo 1,2-c 1,3,2 oxazaborole,corey's catalyst PubChem CID: 9838490 IUPAC Name: (3aR)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole SMILES: [H][C@]12CCCN1B(C)OC2(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 9838490
CAS 112022-83-0
Molecular Weight (g/mol) 277.17
MDL Number MFCD00078440
SMILES [H][C@]12CCCN1B(C)OC2(C1=CC=CC=C1)C1=CC=CC=C1
Synonym r-2-methyl-cbs-oxazaborolidine,r-methyl oxazaborolidine,r-+-2-methyl-cbs-oxazaborolidine,r-5,5-diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine,r-1-methyl-3,3-diphenylhexahydropyrrolo 1,2-c 1,3,2 oxazaborole,r-me-cbs catalyst,r-3,3-diphenyl-1-methylpyrrolidino 1,2-c-1,3,2-oxazaborole,r-me cbs,r-tetrahydro-1-methyl-3,3-diphenyl-1h,3h-pyrrolo 1,2-c 1,3,2 oxazaborole,corey's catalyst
IUPAC Name (3aR)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole
InChI Key VMKAFJQFKBASMU-QGZVFWFLSA-N
Molecular Formula C18H20BNO
10
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Benzoyl Peroxide (Wet/Certified),75%(weight), 25% water, Fisher Chemical™

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
11
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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
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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
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(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
15

Benzyltrimethylammonium Hydroxide (10% in Water), TCI America™

CAS: 100-85-6 Molecular Formula: C10H17NO Molecular Weight (g/mol): 167.252 MDL Number: MFCD00008281 InChI Key: NDKBVBUGCNGSJJ-UHFFFAOYSA-M Synonym: benzyltrimethylammonium hydroxide,triton b,n,n,n-trimethyl-1-phenylmethanaminium hydroxide,trimethylbenzylammonium hydroxide,benzyl trimethylammonium hydroxide,benzyl trimethyl ammonium hydroxide,trimethyl benzylammonium hydroxide,sumquat 2311,benzyltrimetylammonium hydroxide,n,n,n-trimethylbenzenemethanaminium hydroxide PubChem CID: 66854 IUPAC Name: benzyl(trimethyl)azanium;hydroxide SMILES: C[N+](C)(C)CC1=CC=CC=C1.[OH-]

PubChem CID 66854
CAS 100-85-6
Molecular Weight (g/mol) 167.252
MDL Number MFCD00008281
SMILES C[N+](C)(C)CC1=CC=CC=C1.[OH-]
Synonym benzyltrimethylammonium hydroxide,triton b,n,n,n-trimethyl-1-phenylmethanaminium hydroxide,trimethylbenzylammonium hydroxide,benzyl trimethylammonium hydroxide,benzyl trimethyl ammonium hydroxide,trimethyl benzylammonium hydroxide,sumquat 2311,benzyltrimetylammonium hydroxide,n,n,n-trimethylbenzenemethanaminium hydroxide
IUPAC Name benzyl(trimethyl)azanium;hydroxide
InChI Key NDKBVBUGCNGSJJ-UHFFFAOYSA-M
Molecular Formula C10H17NO