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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 (64,917)
Phenols (11,904)
Naphthalenes (4,958)
Fluorenes (1,242)
Unsubstituted Phenols (1,173)
Thiophenols (609)
Phenol esters (426)
Anthracenes (400)
Tetralins (329)
Phenanthrenes and derivatives (300)
Triphenyl compounds (290)
Indanes (288)
Pyrenes (217)
Dibenzocycloheptenes (65)
Ellagic acids and derivatives (33)
Naphthacenes (31)
Acenaphthylenes (16)
Pentacenequinones (16)
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Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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7,801 – 7,815 of 73,799 results
7,801

N,N-Diethyl-m-toluidine 99.0+%, TCI America™
SDP

CAS: 91-67-8 Molecular Formula: C11H17N Molecular Weight (g/mol): 163.26 MDL Number: MFCD00035795 InChI Key: CIPVVROJHKLHJI-UHFFFAOYSA-N Synonym: n,n-diethyl-m-toluidine,benzenamine, n,n-diethyl-3-methyl,3-diethylamino toluene,3-n,n-diethylamino toluene,m-methyl-n,n-diethylaniline,1-diethylamino-3-methylbenzene,3-diethylamino-1-methylbenzene,n,n-diethyl-m-toluidinium ion,m-toluidine, n,n-diethyl,meta-methyl diethylamino benzene PubChem CID: 66679 IUPAC Name: N,N-diethyl-3-methylaniline SMILES: CCN(CC)C1=CC=CC(C)=C1

PubChem CID 66679
CAS 91-67-8
Molecular Weight (g/mol) 163.26
MDL Number MFCD00035795
SMILES CCN(CC)C1=CC=CC(C)=C1
Synonym n,n-diethyl-m-toluidine,benzenamine, n,n-diethyl-3-methyl,3-diethylamino toluene,3-n,n-diethylamino toluene,m-methyl-n,n-diethylaniline,1-diethylamino-3-methylbenzene,3-diethylamino-1-methylbenzene,n,n-diethyl-m-toluidinium ion,m-toluidine, n,n-diethyl,meta-methyl diethylamino benzene
IUPAC Name N,N-diethyl-3-methylaniline
InChI Key CIPVVROJHKLHJI-UHFFFAOYSA-N
Molecular Formula C11H17N
7,802

Tripropyl Trimellitate 97.0+%, TCI America™
SDP

CAS: 1528-53-6 Molecular Formula: C18H24O6 Molecular Weight (g/mol): 336.384 MDL Number: MFCD00191686 InChI Key: QEUYMNVHNSOBRS-UHFFFAOYSA-N Synonym: 1,2,4-Benzenetricarboxylic Acid Tripropyl Ester, Trimellitic Acid Tripropyl Ester PubChem CID: 15920120 IUPAC Name: tripropyl benzene-1,2,4-tricarboxylate SMILES: CCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCC)C(=O)OCCC

PubChem CID 15920120
CAS 1528-53-6
Molecular Weight (g/mol) 336.384
MDL Number MFCD00191686
SMILES CCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCC)C(=O)OCCC
Synonym 1,2,4-Benzenetricarboxylic Acid Tripropyl Ester, Trimellitic Acid Tripropyl Ester
IUPAC Name tripropyl benzene-1,2,4-tricarboxylate
InChI Key QEUYMNVHNSOBRS-UHFFFAOYSA-N
Molecular Formula C18H24O6
7,803

7,12-Dimethylbenz[a]anthracene 98.0+%, TCI America™
SDP

CAS: 57-97-6 Molecular Formula: C20H16 Molecular Weight (g/mol): 256.348 MDL Number: MFCD00003600 InChI Key: ARSRBNBHOADGJU-UHFFFAOYSA-N Synonym: dmba,7,12-dimethylbenz a anthracene,7,12-dimethylbenzanthracene,9,10-dimethyl-1,2-benzanthracene,7,12-dmba,7,12-dimethylbenzo a anthracene,7,12-dimethylbenzanthrancene,6,7-dimethyl-1,2-benzanthracene,1,4-dimethyl-2,3-benzphenanthrene PubChem CID: 6001 ChEBI: CHEBI:254496 IUPAC Name: 7,12-dimethylbenzo[a]anthracene SMILES: CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)C

PubChem CID 6001
CAS 57-97-6
Molecular Weight (g/mol) 256.348
ChEBI CHEBI:254496
MDL Number MFCD00003600
SMILES CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)C
Synonym dmba,7,12-dimethylbenz a anthracene,7,12-dimethylbenzanthracene,9,10-dimethyl-1,2-benzanthracene,7,12-dmba,7,12-dimethylbenzo a anthracene,7,12-dimethylbenzanthrancene,6,7-dimethyl-1,2-benzanthracene,1,4-dimethyl-2,3-benzphenanthrene
IUPAC Name 7,12-dimethylbenzo[a]anthracene
InChI Key ARSRBNBHOADGJU-UHFFFAOYSA-N
Molecular Formula C20H16
7,804

2-Nitrobenzoic Acid 90.0+%, TCI America™
SDP

CAS: 552-16-9 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007137 InChI Key: SLAMLWHELXOEJZ-UHFFFAOYSA-N Synonym: 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid PubChem CID: 11087 ChEBI: CHEBI:25620 SMILES: C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 11087
CAS 552-16-9
Molecular Weight (g/mol) 167.12
ChEBI CHEBI:25620
MDL Number MFCD00007137
SMILES C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]
Synonym 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid
InChI Key SLAMLWHELXOEJZ-UHFFFAOYSA-N
Molecular Formula C7H5NO4
7,805

2-Iodobenzyl Bromide 98.0+%, TCI America™
SDP

CAS: 40400-13-3 Molecular Formula: C7H6BrI Molecular Weight (g/mol): 296.933 MDL Number: MFCD00236046 InChI Key: GQFITODJWOIYPF-UHFFFAOYSA-N Synonym: 2-iodobenzyl bromide,1-bromomethyl-2-iodobenzene,o-iodobenzyl bromide,alpha-bromo-2-iodotoluene,benzene, 1-bromomethyl-2-iodo,2-iodobenzylbromide,2-iodo benzylbromide,pubchem14812,acmc-1anor,alpha-bromo-2-iodo toluene PubChem CID: 11426472 IUPAC Name: 1-(bromomethyl)-2-iodobenzene SMILES: C1=CC=C(C(=C1)CBr)I

PubChem CID 11426472
CAS 40400-13-3
Molecular Weight (g/mol) 296.933
MDL Number MFCD00236046
SMILES C1=CC=C(C(=C1)CBr)I
Synonym 2-iodobenzyl bromide,1-bromomethyl-2-iodobenzene,o-iodobenzyl bromide,alpha-bromo-2-iodotoluene,benzene, 1-bromomethyl-2-iodo,2-iodobenzylbromide,2-iodo benzylbromide,pubchem14812,acmc-1anor,alpha-bromo-2-iodo toluene
IUPAC Name 1-(bromomethyl)-2-iodobenzene
InChI Key GQFITODJWOIYPF-UHFFFAOYSA-N
Molecular Formula C7H6BrI
7,806

Pentamethylbenzaldehyde 96.0+%, TCI America™
SDP

CAS: 17432-38-1 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.259 MDL Number: MFCD00015560 InChI Key: RWOZGGOKRKSHKN-UHFFFAOYSA-N Synonym: pentamethylbenzaldehyde,pubchem16352,acmc-1busy,3,4-dibenzyloxyphenethylamine hydroxide PubChem CID: 263712 IUPAC Name: 2,3,4,5,6-pentamethylbenzaldehyde SMILES: CC1=C(C(=C(C(=C1C)C)C=O)C)C

PubChem CID 263712
CAS 17432-38-1
Molecular Weight (g/mol) 176.259
MDL Number MFCD00015560
SMILES CC1=C(C(=C(C(=C1C)C)C=O)C)C
Synonym pentamethylbenzaldehyde,pubchem16352,acmc-1busy,3,4-dibenzyloxyphenethylamine hydroxide
IUPAC Name 2,3,4,5,6-pentamethylbenzaldehyde
InChI Key RWOZGGOKRKSHKN-UHFFFAOYSA-N
Molecular Formula C12H16O
7,807

cis-1,2-Bis(phenylsulfonyl)ethylene 95.0+%, TCI America™
SDP

CAS: 963-15-5 Molecular Formula: C14H12O4S2 Molecular Weight (g/mol): 308.366 MDL Number: MFCD00010140 InChI Key: YGBXMKGCEHIWMO-QXMHVHEDSA-N PubChem CID: 5383944 IUPAC Name: [(Z)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene SMILES: C1=CC=C(C=C1)S(=O)(=O)C=CS(=O)(=O)C2=CC=CC=C2

PubChem CID 5383944
CAS 963-15-5
Molecular Weight (g/mol) 308.366
MDL Number MFCD00010140
SMILES C1=CC=C(C=C1)S(=O)(=O)C=CS(=O)(=O)C2=CC=CC=C2
IUPAC Name [(Z)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene
InChI Key YGBXMKGCEHIWMO-QXMHVHEDSA-N
Molecular Formula C14H12O4S2
7,808

3-Nitrobenzyl Bromide 98.0+%, TCI America™
SDP

CAS: 3958-57-4 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00007271 InChI Key: LNWXALCHPJANMJ-UHFFFAOYSA-N Synonym: 3-nitrobenzyl bromide,1-bromomethyl-3-nitrobenzene,m-nitrobenzyl bromide,benzene, 1-bromomethyl-3-nitro,alpha-bromo-3-nitrotoluene,m-bromomethyl nitrobenzene,alpha-bromo-m-nitrotoluene,m-nitro-alpha-bromotoluene,3-nitrobenzylbromide,toluene, alpha-bromo-m-nitro PubChem CID: 77568 IUPAC Name: 1-(bromomethyl)-3-nitrobenzene SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CBr

PubChem CID 77568
CAS 3958-57-4
Molecular Weight (g/mol) 216.034
MDL Number MFCD00007271
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])CBr
Synonym 3-nitrobenzyl bromide,1-bromomethyl-3-nitrobenzene,m-nitrobenzyl bromide,benzene, 1-bromomethyl-3-nitro,alpha-bromo-3-nitrotoluene,m-bromomethyl nitrobenzene,alpha-bromo-m-nitrotoluene,m-nitro-alpha-bromotoluene,3-nitrobenzylbromide,toluene, alpha-bromo-m-nitro
IUPAC Name 1-(bromomethyl)-3-nitrobenzene
InChI Key LNWXALCHPJANMJ-UHFFFAOYSA-N
Molecular Formula C7H6BrNO2
7,809

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

CAS: 825-99-0 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00156993 InChI Key: PZGADOOBMVLBJE-UHFFFAOYSA-N Synonym: 3-methylthio benzoic acid,3-methylsulfanyl benzoic acid,benzoic acid, 3-methylthio,benzoic acid, m-methylthio,3-mercaptobenzoic acid s-methyl ether,3-methylsulfanyl-benzoic acid,3-carboxythioanisole,pubchem10679 PubChem CID: 220329 IUPAC Name: 3-methylsulfanylbenzoic acid SMILES: CSC1=CC=CC(=C1)C(=O)O

PubChem CID 220329
CAS 825-99-0
Molecular Weight (g/mol) 168.21
MDL Number MFCD00156993
SMILES CSC1=CC=CC(=C1)C(=O)O
Synonym 3-methylthio benzoic acid,3-methylsulfanyl benzoic acid,benzoic acid, 3-methylthio,benzoic acid, m-methylthio,3-mercaptobenzoic acid s-methyl ether,3-methylsulfanyl-benzoic acid,3-carboxythioanisole,pubchem10679
IUPAC Name 3-methylsulfanylbenzoic acid
InChI Key PZGADOOBMVLBJE-UHFFFAOYSA-N
Molecular Formula C8H8O2S
7,810

5-Ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine 98.0+%, TCI America™
SDP

CAS: 85583-54-6 Molecular Formula: C15H16N2O3 Molecular Weight (g/mol): 272.304 MDL Number: MFCD09032965 InChI Key: KGCCHRPMSPXKJE-UHFFFAOYSA-N PubChem CID: 13314806 IUPAC Name: 5-ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine SMILES: CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)[N+](=O)[O-]

PubChem CID 13314806
CAS 85583-54-6
Molecular Weight (g/mol) 272.304
MDL Number MFCD09032965
SMILES CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)[N+](=O)[O-]
IUPAC Name 5-ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine
InChI Key KGCCHRPMSPXKJE-UHFFFAOYSA-N
Molecular Formula C15H16N2O3
7,811

2,6-Dichlorobenzyl Alcohol 98.0+%, TCI America™
SDP

CAS: 15258-73-8 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.024 MDL Number: MFCD00004609 InChI Key: WKKHCCZLKYKUDN-UHFFFAOYSA-N Synonym: 2,6-dichlorobenzyl alcohol,2,6-dichlorophenyl methanol,benzenemethanol, 2,6-dichloro,2,6-dichlorobenzenemethanol,benzyl alcohol, 2,6-dichloro,2,6-dcal,2,6-dichlorobenzylalcohol,benzenemethanol, 2,6-dichloro-9ci,2,6-dichloro-benzenemethanol,2,6-dichloro-phenyl-methanol PubChem CID: 27156 IUPAC Name: (2,6-dichlorophenyl)methanol SMILES: C1=CC(=C(C(=C1)Cl)CO)Cl

PubChem CID 27156
CAS 15258-73-8
Molecular Weight (g/mol) 177.024
MDL Number MFCD00004609
SMILES C1=CC(=C(C(=C1)Cl)CO)Cl
Synonym 2,6-dichlorobenzyl alcohol,2,6-dichlorophenyl methanol,benzenemethanol, 2,6-dichloro,2,6-dichlorobenzenemethanol,benzyl alcohol, 2,6-dichloro,2,6-dcal,2,6-dichlorobenzylalcohol,benzenemethanol, 2,6-dichloro-9ci,2,6-dichloro-benzenemethanol,2,6-dichloro-phenyl-methanol
IUPAC Name (2,6-dichlorophenyl)methanol
InChI Key WKKHCCZLKYKUDN-UHFFFAOYSA-N
Molecular Formula C7H6Cl2O
7,812

Methyl 4-(Cyanomethyl)benzoate 95.0+%, TCI America™
SDP

CAS: 76469-88-0 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00060695 InChI Key: XRZGMNGGCZTNGE-UHFFFAOYSA-N Synonym: 4-(Cyanomethyl)benzoic Acid Methyl Ester PubChem CID: 848548 IUPAC Name: methyl 4-(cyanomethyl)benzoate SMILES: COC(=O)C1=CC=C(CC#N)C=C1

PubChem CID 848548
CAS 76469-88-0
Molecular Weight (g/mol) 175.19
MDL Number MFCD00060695
SMILES COC(=O)C1=CC=C(CC#N)C=C1
Synonym 4-(Cyanomethyl)benzoic Acid Methyl Ester
IUPAC Name methyl 4-(cyanomethyl)benzoate
InChI Key XRZGMNGGCZTNGE-UHFFFAOYSA-N
Molecular Formula C10H9NO2
7,813

Disodium 1,5-Naphthalenedisulfonate Hydrate 98.0+%, TCI America™
SDP

CAS: 1655-29-4 Molecular Formula: C10H6Na2O6S2 Molecular Weight (g/mol): 332.252 MDL Number: MFCD00064178 InChI Key: YGSZNSDQUQYJCY-UHFFFAOYSA-L Synonym: disodium 1,5-naphthalenedisulfonate,sodium naphthalene-1,5-disulfonate,disodium naphthalene-1,5-disulfonate,1,5-naphthalenedisulfonic acid, disodium salt,sodium 1,5-naphthalenedisulfonate,unii-28r71p6a5j,1,5-naphthalenedisulfonic acid disodium salt,1,5-naphthalenedisulfonic acid, sodium salt 1:2,1,5-naphthalenedisulfonic acid disodium salt hydrate,1,5-naphthalene disulfonic acid disudium salt PubChem CID: 74248 IUPAC Name: disodium;naphthalene-1,5-disulfonate SMILES: C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+]

PubChem CID 74248
CAS 1655-29-4
Molecular Weight (g/mol) 332.252
MDL Number MFCD00064178
SMILES C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+]
Synonym disodium 1,5-naphthalenedisulfonate,sodium naphthalene-1,5-disulfonate,disodium naphthalene-1,5-disulfonate,1,5-naphthalenedisulfonic acid, disodium salt,sodium 1,5-naphthalenedisulfonate,unii-28r71p6a5j,1,5-naphthalenedisulfonic acid disodium salt,1,5-naphthalenedisulfonic acid, sodium salt 1:2,1,5-naphthalenedisulfonic acid disodium salt hydrate,1,5-naphthalene disulfonic acid disudium salt
IUPAC Name disodium;naphthalene-1,5-disulfonate
InChI Key YGSZNSDQUQYJCY-UHFFFAOYSA-L
Molecular Formula C10H6Na2O6S2
7,814

3,5-Dichlorothioanisole 98.0+%, TCI America™
SDP

CAS: 68121-46-0 Molecular Formula: C7H6Cl2S Molecular Weight (g/mol): 193.09 MDL Number: MFCD00870149 InChI Key: PSSCMQMQOXVMFG-UHFFFAOYSA-N Synonym: 1,3-Dichloro-5-(methylthio)benzene PubChem CID: 129278 IUPAC Name: 1,3-dichloro-5-(methylsulfanyl)benzene SMILES: CSC1=CC(Cl)=CC(Cl)=C1

PubChem CID 129278
CAS 68121-46-0
Molecular Weight (g/mol) 193.09
MDL Number MFCD00870149
SMILES CSC1=CC(Cl)=CC(Cl)=C1
Synonym 1,3-Dichloro-5-(methylthio)benzene
IUPAC Name 1,3-dichloro-5-(methylsulfanyl)benzene
InChI Key PSSCMQMQOXVMFG-UHFFFAOYSA-N
Molecular Formula C7H6Cl2S
7,815

o-Phenetidine 98.0+%, TCI America™
SDP

CAS: 94-70-2 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00007689 InChI Key: ULHFFAFDSSHFDA-UHFFFAOYSA-N Synonym: o-phenetidine,2-aminophenetole,benzenamine, 2-ethoxy,o-ethoxyaniline,2-ethoxybenzenamine,o-aminophenetole,2-ethoxyphenylamine,ethoxyaniline,2-phenetidine,benzenamine, ar-ethoxy PubChem CID: 7203 IUPAC Name: 2-ethoxyaniline SMILES: CCOC1=CC=CC=C1N

PubChem CID 7203
CAS 94-70-2
Molecular Weight (g/mol) 137.182
MDL Number MFCD00007689
SMILES CCOC1=CC=CC=C1N
Synonym o-phenetidine,2-aminophenetole,benzenamine, 2-ethoxy,o-ethoxyaniline,2-ethoxybenzenamine,o-aminophenetole,2-ethoxyphenylamine,ethoxyaniline,2-phenetidine,benzenamine, ar-ethoxy
IUPAC Name 2-ethoxyaniline
InChI Key ULHFFAFDSSHFDA-UHFFFAOYSA-N
Molecular Formula C8H11NO