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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 (2,822)
Phenols (284)
Naphthalenes (86)
Thiophenols (60)
Phenol esters (42)
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Triphenyl compounds (8)
Phenanthrenes and derivatives (7)
Ellagic acids and derivatives (3)
Unsubstituted Phenols (1)

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1 – 15 of 1,730 results
1

Benzophenone, 99%, pure

CAS: 119-61-9 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.22 InChI Key: RWCCWEUUXYIKHB-UHFFFAOYSA-N Synonym: benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone PubChem CID: 3102 ChEBI: CHEBI:41308 IUPAC Name: diphenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

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PubChem CID 3102
CAS 119-61-9
Molecular Weight (g/mol) 182.22
ChEBI CHEBI:41308
SMILES C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Synonym benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone
IUPAC Name diphenylmethanone
InChI Key RWCCWEUUXYIKHB-UHFFFAOYSA-N
Molecular Formula C13H10O
2

Benzoic acid, 99.6%, ACS reagent

CAS: 65-85-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N Synonym: benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv PubChem CID: 243 ChEBI: CHEBI:30746 IUPAC Name: benzoic acid SMILES: C1=CC=C(C=C1)C(=O)O

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PubChem CID 243
CAS 65-85-0
Molecular Weight (g/mol) 122.12
ChEBI CHEBI:30746
SMILES C1=CC=C(C=C1)C(=O)O
Synonym benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv
IUPAC Name benzoic acid
InChI Key WPYMKLBDIGXBTP-UHFFFAOYSA-N
Molecular Formula C7H6O2
3

4-Aminobenzoic acid, 99%

CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O

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PubChem CID 978
CAS 150-13-0
Molecular Weight (g/mol) 137.14
ChEBI CHEBI:30753
MDL Number MFCD00007894
SMILES NC1=CC=C(C=C1)C(O)=O
Synonym p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino
IUPAC Name 4-aminobenzoic acid
InChI Key ALYNCZNDIQEVRV-UHFFFAOYSA-N
Molecular Formula C7H7NO2
4

Benzhydrol, 99%

CAS: 91-01-0 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.24 MDL Number: MFCD00004488 InChI Key: QILSFLSDHQAZET-UHFFFAOYSA-N Synonym: benzhydrol,diphenylcarbinol,benzohydrol,benzhydryl alcohol,hydroxydiphenylmethane,diphenylmethyl alcohol,diphenyl carbinol,alpha-phenylbenzenemethanol,diphenyl-methanol,benzenemethanol, .alpha.-phenyl PubChem CID: 7037 IUPAC Name: diphenylmethanol SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)O

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PubChem CID 7037
CAS 91-01-0
Molecular Weight (g/mol) 184.24
MDL Number MFCD00004488
SMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)O
Synonym benzhydrol,diphenylcarbinol,benzohydrol,benzhydryl alcohol,hydroxydiphenylmethane,diphenylmethyl alcohol,diphenyl carbinol,alpha-phenylbenzenemethanol,diphenyl-methanol,benzenemethanol, .alpha.-phenyl
IUPAC Name diphenylmethanol
InChI Key QILSFLSDHQAZET-UHFFFAOYSA-N
Molecular Formula C13H12O
5

Benzyltriethylammonium chloride, 99%

CAS: 56-37-1 Molecular Formula: C13H22ClN Molecular Weight (g/mol): 227.78 MDL Number: MFCD00011824 InChI Key: HTZCNXWZYVXIMZ-UHFFFAOYSA-M Synonym: benzyltriethylammonium chloride,tebac,benzyl triethylammonium chloride,benzyl triethyl ammonium chloride,benzyltriethylammoniumchloride,triethylbenzylammonium chloride,bteac,teba,benzyltriethylazanium chloride,n-benzyl-n,n-diethylethanaminium chloride PubChem CID: 66133 IUPAC Name: benzyl(triethyl)azanium;chloride SMILES: [Cl-].CC[N+](CC)(CC)CC1=CC=CC=C1

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PubChem CID 66133
CAS 56-37-1
Molecular Weight (g/mol) 227.78
MDL Number MFCD00011824
SMILES [Cl-].CC[N+](CC)(CC)CC1=CC=CC=C1
Synonym benzyltriethylammonium chloride,tebac,benzyl triethylammonium chloride,benzyl triethyl ammonium chloride,benzyltriethylammoniumchloride,triethylbenzylammonium chloride,bteac,teba,benzyltriethylazanium chloride,n-benzyl-n,n-diethylethanaminium chloride
IUPAC Name benzyl(triethyl)azanium;chloride
InChI Key HTZCNXWZYVXIMZ-UHFFFAOYSA-M
Molecular Formula C13H22ClN
6

Benzophenone, 99+%, pure

CAS: 119-61-9 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.22 InChI Key: RWCCWEUUXYIKHB-UHFFFAOYSA-N Synonym: benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone PubChem CID: 3102 ChEBI: CHEBI:41308 IUPAC Name: diphenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

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PubChem CID 3102
CAS 119-61-9
Molecular Weight (g/mol) 182.22
ChEBI CHEBI:41308
SMILES C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Synonym benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone
IUPAC Name diphenylmethanone
InChI Key RWCCWEUUXYIKHB-UHFFFAOYSA-N
Molecular Formula C13H10O
7

Ethyl 3,4-dihydroxybenzoate, 97%

CAS: 3943-89-3 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002199 InChI Key: KBPUBCVJHFXPOC-UHFFFAOYSA-N Synonym: ethyl protocatechuate,3,4-dihydroxybenzoic acid ethyl ester,ethyl-3,4-dihydroxybenzoate,unii-4ygj96wtbg,benzoic acid, 3,4-dihydroxy-, ethyl ester,edhb,protocatechuic acid ethyl ester,4ygj96wtbg,3,4-dihydroxy-benzoic acid ethyl ester PubChem CID: 77547 IUPAC Name: ethyl 3,4-dihydroxybenzoate SMILES: CCOC(=O)C1=CC=C(O)C(O)=C1

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PubChem CID 77547
CAS 3943-89-3
Molecular Weight (g/mol) 182.18
MDL Number MFCD00002199
SMILES CCOC(=O)C1=CC=C(O)C(O)=C1
Synonym ethyl protocatechuate,3,4-dihydroxybenzoic acid ethyl ester,ethyl-3,4-dihydroxybenzoate,unii-4ygj96wtbg,benzoic acid, 3,4-dihydroxy-, ethyl ester,edhb,protocatechuic acid ethyl ester,4ygj96wtbg,3,4-dihydroxy-benzoic acid ethyl ester
IUPAC Name ethyl 3,4-dihydroxybenzoate
InChI Key KBPUBCVJHFXPOC-UHFFFAOYSA-N
Molecular Formula C9H10O4
8

Thermo Scientific Chemicals 8-Hydroxy-1,3,6-pyrenetrisulfonic acid trisodium salt, 98%

CAS: 6358-69-6 Molecular Formula: C16H7Na3O10S3 Molecular Weight (g/mol): 524.37 MDL Number: MFCD00037575 InChI Key: KXXXUIKPSVVSAW-UHFFFAOYSA-K PubChem CID: 61388 ChEBI: CHEBI:52083 IUPAC Name: trisodium;8-hydroxypyrene-1,3,6-trisulfonate SMILES: [Na+].[Na+].[Na+].OC1=CC(=C2C=CC3=C(C=C(C4=CC=C1C2=C34)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O

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PubChem CID 61388
CAS 6358-69-6
Molecular Weight (g/mol) 524.37
ChEBI CHEBI:52083
MDL Number MFCD00037575
SMILES [Na+].[Na+].[Na+].OC1=CC(=C2C=CC3=C(C=C(C4=CC=C1C2=C34)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
IUPAC Name trisodium;8-hydroxypyrene-1,3,6-trisulfonate
InChI Key KXXXUIKPSVVSAW-UHFFFAOYSA-K
Molecular Formula C16H7Na3O10S3
9

Benzoic acid, 99%, extra pure

CAS: 65-85-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 MDL Number: MFCD00002398 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N Synonym: benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv PubChem CID: 243 ChEBI: CHEBI:30746 IUPAC Name: benzoic acid SMILES: C1=CC=C(C=C1)C(=O)O

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PubChem CID 243
CAS 65-85-0
Molecular Weight (g/mol) 122.12
ChEBI CHEBI:30746
MDL Number MFCD00002398
SMILES C1=CC=C(C=C1)C(=O)O
Synonym benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv
IUPAC Name benzoic acid
InChI Key WPYMKLBDIGXBTP-UHFFFAOYSA-N
Molecular Formula C7H6O2
10

2,6-Dimethoxyphenol, 99%

CAS: 91-10-1 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00064434 InChI Key: KLIDCXVFHGNTTM-UHFFFAOYSA-N Synonym: syringol,pyrogallol 1,3-dimethyl ether,1,3-dimethyl pyrogallate,phenol, 2,6-dimethoxy,2-hydroxy-1,3-dimethoxybenzene,1,3-di-o-methylpyrogallol,1,3-dimethoxy-2-hydroxybenzene,2,6-dimethoxy-phenol,pyrogallol dimethylether,2,6-dwumetoksyfenol PubChem CID: 7041 ChEBI: CHEBI:955 IUPAC Name: 2,6-dimethoxyphenol SMILES: COC1=CC=CC(OC)=C1O

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PubChem CID 7041
CAS 91-10-1
Molecular Weight (g/mol) 154.17
ChEBI CHEBI:955
MDL Number MFCD00064434
SMILES COC1=CC=CC(OC)=C1O
Synonym syringol,pyrogallol 1,3-dimethyl ether,1,3-dimethyl pyrogallate,phenol, 2,6-dimethoxy,2-hydroxy-1,3-dimethoxybenzene,1,3-di-o-methylpyrogallol,1,3-dimethoxy-2-hydroxybenzene,2,6-dimethoxy-phenol,pyrogallol dimethylether,2,6-dwumetoksyfenol
IUPAC Name 2,6-dimethoxyphenol
InChI Key KLIDCXVFHGNTTM-UHFFFAOYSA-N
Molecular Formula C8H10O3
11

Propyl 4-hydroxybenzoate, 99+%

CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.2 MDL Number: MFCD00002354 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N Synonym: propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept PubChem CID: 7175 ChEBI: CHEBI:32063 IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(C=C1)O

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PubChem CID 7175
CAS 94-13-3
Molecular Weight (g/mol) 180.2
ChEBI CHEBI:32063
MDL Number MFCD00002354
SMILES CCCOC(=O)C1=CC=C(C=C1)O
Synonym propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept
IUPAC Name propyl 4-hydroxybenzoate
InChI Key QELSKZZBTMNZEB-UHFFFAOYSA-N
Molecular Formula C10H12O3
12

Triphenylphosphinecopper(I) hydride hexamer, 96%

CAS: 33636-93-0 Molecular Formula: C108H96Cu6P6 Molecular Weight (g/mol): 1961.07 MDL Number: MFCD00221518 InChI Key: IZZFKTUYPRVQID-UHFFFAOYSA-T Synonym: stryker's reagent,triphenylphosphine copper hydride hexamer,triphenylphosphine-copper i hydride hexamer,unii-8x3r32m7xu,hydrido triphenylphosphine copper i hexamer,stryker's reagent mi,triphenylphosphine cuprous hydride,triphenylphosphine copper i hydride hexamer,copper, hexa-mu3-hydrohexakis triphenylphosphine hexa-, octahedro,cuprous hydride triphenylphosphine hexamer PubChem CID: 11982471 IUPAC Name: copper;triphenylphosphane SMILES: [H+].[H+].[H+].[H+].[H+].[H+].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)[Cu]123[Cu]45([P+](C6=CC=CC=C6)(C6=CC=CC=C6)C6=CC=CC=C6)[Cu]11([P+](C6=CC=CC=C6)(C6=CC=CC=C6)C6=CC=CC=C6)[Cu]22([P+](C6=CC=CC=C6)(C6=CC=CC=C6)C6=CC=CC=C6)[Cu]34([P+](C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)[Cu]512[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID 11982471
CAS 33636-93-0
Molecular Weight (g/mol) 1961.07
MDL Number MFCD00221518
SMILES [H+].[H+].[H+].[H+].[H+].[H+].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)[Cu]123[Cu]45([P+](C6=CC=CC=C6)(C6=CC=CC=C6)C6=CC=CC=C6)[Cu]11([P+](C6=CC=CC=C6)(C6=CC=CC=C6)C6=CC=CC=C6)[Cu]22([P+](C6=CC=CC=C6)(C6=CC=CC=C6)C6=CC=CC=C6)[Cu]34([P+](C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)[Cu]512[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym stryker's reagent,triphenylphosphine copper hydride hexamer,triphenylphosphine-copper i hydride hexamer,unii-8x3r32m7xu,hydrido triphenylphosphine copper i hexamer,stryker's reagent mi,triphenylphosphine cuprous hydride,triphenylphosphine copper i hydride hexamer,copper, hexa-mu3-hydrohexakis triphenylphosphine hexa-, octahedro,cuprous hydride triphenylphosphine hexamer
IUPAC Name copper;triphenylphosphane
InChI Key IZZFKTUYPRVQID-UHFFFAOYSA-T
Molecular Formula C108H96Cu6P6
13

2-Bromotoluene, 99%

CAS: 95-46-5 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.04 MDL Number: MFCD00000068 InChI Key: QSSXJPIWXQTSIX-UHFFFAOYSA-N Synonym: 2-bromotoluene,o-bromotoluene,2-methylbromobenzene,o-tolyl bromide,benzene, 1-bromo-2-methyl,toluene, o-bromo,2-bromo-1-methylbenzene,2-tolyl bromide,1-methyl-2-bromobenzene,o-methylphenyl bromide PubChem CID: 7236 IUPAC Name: 1-bromo-2-methylbenzene SMILES: CC1=CC=CC=C1Br

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PubChem CID 7236
CAS 95-46-5
Molecular Weight (g/mol) 171.04
MDL Number MFCD00000068
SMILES CC1=CC=CC=C1Br
Synonym 2-bromotoluene,o-bromotoluene,2-methylbromobenzene,o-tolyl bromide,benzene, 1-bromo-2-methyl,toluene, o-bromo,2-bromo-1-methylbenzene,2-tolyl bromide,1-methyl-2-bromobenzene,o-methylphenyl bromide
IUPAC Name 1-bromo-2-methylbenzene
InChI Key QSSXJPIWXQTSIX-UHFFFAOYSA-N
Molecular Formula C7H7Br
14

4-Bromotoluene, 99%

CAS: 106-38-7 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.04 MDL Number: MFCD00000109 InChI Key: ZBTMRBYMKUEVEU-UHFFFAOYSA-N Synonym: 4-bromotoluene,p-bromotoluene,4-methylbromobenzene,p-tolyl bromide,benzene, 1-bromo-4-methyl,toluene, p-bromo,p-methylphenyl bromide,p-methylbromobenzene,1-methyl-4-bromobenzene,4-bromo-1-methylbenzene PubChem CID: 7805 IUPAC Name: 1-bromo-4-methylbenzene SMILES: CC1=CC=C(Br)C=C1

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PubChem CID 7805
CAS 106-38-7
Molecular Weight (g/mol) 171.04
MDL Number MFCD00000109
SMILES CC1=CC=C(Br)C=C1
Synonym 4-bromotoluene,p-bromotoluene,4-methylbromobenzene,p-tolyl bromide,benzene, 1-bromo-4-methyl,toluene, p-bromo,p-methylphenyl bromide,p-methylbromobenzene,1-methyl-4-bromobenzene,4-bromo-1-methylbenzene
IUPAC Name 1-bromo-4-methylbenzene
InChI Key ZBTMRBYMKUEVEU-UHFFFAOYSA-N
Molecular Formula C7H7Br
15

Iodobenzene diacetate, 98%

CAS: 3240-34-4 Molecular Formula: C10H11IO4 Molecular Weight (g/mol): 322.09 InChI Key: ZBIKORITPGTTGI-UHFFFAOYSA-N Synonym: iodobenzene diacetate,diacetoxyiodo benzene,iodosobenzene diacetate,phenyliodine diacetate,phenyliodo diacetate,phenyliodoso acetate,phenyliodosodiacetate,phenyliodoso diacetate,bis acetato phenyliodine,benzene, diacetoxyiodo PubChem CID: 76724 IUPAC Name: [acetyloxy(phenyl)-$l^{3}-iodanyl] acetate SMILES: CC(=O)OI(C1=CC=CC=C1)OC(=O)C

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PubChem CID 76724
CAS 3240-34-4
Molecular Weight (g/mol) 322.09
SMILES CC(=O)OI(C1=CC=CC=C1)OC(=O)C
Synonym iodobenzene diacetate,diacetoxyiodo benzene,iodosobenzene diacetate,phenyliodine diacetate,phenyliodo diacetate,phenyliodoso acetate,phenyliodosodiacetate,phenyliodoso diacetate,bis acetato phenyliodine,benzene, diacetoxyiodo
IUPAC Name [acetyloxy(phenyl)-$l^{3}-iodanyl] acetate
InChI Key ZBIKORITPGTTGI-UHFFFAOYSA-N
Molecular Formula C10H11IO4