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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 (67,623)
Phenols (13,427)
Naphthalenes (5,064)
Fluorenes (1,235)
Unsubstituted Phenols (1,165)
Thiophenols (617)
Phenol esters (557)
Anthracenes (412)
Phenanthrenes and derivatives (327)
Tetralins (327)
Indanes (313)
Triphenyl compounds (277)
Pyrenes (229)
Dibenzocycloheptenes (62)
Naphthacenes (36)
Ellagic acids and derivatives (33)
Pentacenes (19)
Pentacenequinones (16)
Acenaphthylenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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1,516 – 1,530 of 78,441 results
1,516

Butylated Hydroxytoluene, Granular, NF, 99-101.5%, Spectrum™ Chemical
SDP

CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.36 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N IUPAC Name: 2,6-di-tert-butyl-4-methylphenol SMILES: CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C

CAS 128-37-0
Molecular Weight (g/mol) 220.36
SMILES CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
IUPAC Name 2,6-di-tert-butyl-4-methylphenol
InChI Key NLZUEZXRPGMBCV-UHFFFAOYSA-N
Molecular Formula C15H24O
1,517

Benzethonium Chloride, USP, 97-103%, Spectrum™ Chemical
SDP

CAS: 121-54-0 Molecular Formula: C27H42ClNO2 Molecular Weight (g/mol): 448.09 InChI Key: UREZNYTWGJKWBI-UHFFFAOYSA-M IUPAC Name: benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium chloride SMILES: [Cl-].CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1

CAS 121-54-0
Molecular Weight (g/mol) 448.09
SMILES [Cl-].CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1
IUPAC Name benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium chloride
InChI Key UREZNYTWGJKWBI-UHFFFAOYSA-M
Molecular Formula C27H42ClNO2
1,518

Benzyl Alcohol, NF, 98-100.5%, Spectrum™ Chemical
SDP

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

CAS 100-51-6
Molecular Weight (g/mol) 108.14
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
1,519

4-Nitrothioanisole, 98%

CAS: 701-57-5 Molecular Formula: C7H7NO2S Molecular Weight (g/mol): 169.198 MDL Number: MFCD00010868 InChI Key: NEZGPRYOJVPJKL-UHFFFAOYSA-N Synonym: 4-nitrothioanisole,1-methylthio-4-nitrobenzene,methyl 4-nitrophenyl sulfide,1-methylsulfanyl-4-nitrobenzene,benzene, 1-methylthio-4-nitro,methyl 4-nitrophenyl sulphide,1-methylsulfanyl-4-nitro-benzene,pubchem10631,4-methylthio nitrobenzene PubChem CID: 96109 IUPAC Name: 1-methylsulfanyl-4-nitrobenzene SMILES: CSC1=CC=C(C=C1)[N+](=O)[O-]

PubChem CID 96109
CAS 701-57-5
Molecular Weight (g/mol) 169.198
MDL Number MFCD00010868
SMILES CSC1=CC=C(C=C1)[N+](=O)[O-]
Synonym 4-nitrothioanisole,1-methylthio-4-nitrobenzene,methyl 4-nitrophenyl sulfide,1-methylsulfanyl-4-nitrobenzene,benzene, 1-methylthio-4-nitro,methyl 4-nitrophenyl sulphide,1-methylsulfanyl-4-nitro-benzene,pubchem10631,4-methylthio nitrobenzene
IUPAC Name 1-methylsulfanyl-4-nitrobenzene
InChI Key NEZGPRYOJVPJKL-UHFFFAOYSA-N
Molecular Formula C7H7NO2S
1,520

Methyl 2-chloro-4-fluorophenylacetate, 98%

CAS: 214262-88-1 Molecular Formula: C9H8ClFO2 Molecular Weight (g/mol): 202.61 MDL Number: MFCD00800611 InChI Key: DFTYYBRLWCAUHP-UHFFFAOYSA-N Synonym: methyl 2-2-chloro-4-fluorophenyl acetate,methyl 2-chloro-4-fluorophenylacetate,benzeneacetic acid, 2-chloro-4-fluoro-, methyl ester,methyl-2-chloro-4-fluorophenylacetate,pubchem16488,methyl 2-chloro-4-fluorophenyl acetate,methyl2-2-chloro-4-fluorophenyl acetate,2-chloro-4-fluorophenyl-acetic acid methyl ester,2-chloro-4-fluorophenyl acetic acid methyl ester,methyl 2-chloro-4-fluorophenylacetate 98 PubChem CID: 736123 IUPAC Name: methyl 2-(2-chloro-4-fluorophenyl)acetate SMILES: COC(=O)CC1=CC=C(F)C=C1Cl

PubChem CID 736123
CAS 214262-88-1
Molecular Weight (g/mol) 202.61
MDL Number MFCD00800611
SMILES COC(=O)CC1=CC=C(F)C=C1Cl
Synonym methyl 2-2-chloro-4-fluorophenyl acetate,methyl 2-chloro-4-fluorophenylacetate,benzeneacetic acid, 2-chloro-4-fluoro-, methyl ester,methyl-2-chloro-4-fluorophenylacetate,pubchem16488,methyl 2-chloro-4-fluorophenyl acetate,methyl2-2-chloro-4-fluorophenyl acetate,2-chloro-4-fluorophenyl-acetic acid methyl ester,2-chloro-4-fluorophenyl acetic acid methyl ester,methyl 2-chloro-4-fluorophenylacetate 98
IUPAC Name methyl 2-(2-chloro-4-fluorophenyl)acetate
InChI Key DFTYYBRLWCAUHP-UHFFFAOYSA-N
Molecular Formula C9H8ClFO2
1,521

2-Methylanisole, 99%

CAS: 578-58-5 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00008373 InChI Key: DTFKRVXLBCAIOZ-UHFFFAOYSA-N Synonym: 2-methylanisole,o-methylanisole,2-methoxytoluene,o-cresol methyl ether,o-cresyl methyl ether,anisole, o-methyl,benzene, 1-methoxy-2-methyl,methyl o-tolyl ether,o-methoxytoluene,2-methylmethoxybenzene PubChem CID: 33637 IUPAC Name: 1-methoxy-2-methylbenzene SMILES: CC1=CC=CC=C1OC

PubChem CID 33637
CAS 578-58-5
Molecular Weight (g/mol) 122.17
MDL Number MFCD00008373
SMILES CC1=CC=CC=C1OC
Synonym 2-methylanisole,o-methylanisole,2-methoxytoluene,o-cresol methyl ether,o-cresyl methyl ether,anisole, o-methyl,benzene, 1-methoxy-2-methyl,methyl o-tolyl ether,o-methoxytoluene,2-methylmethoxybenzene
IUPAC Name 1-methoxy-2-methylbenzene
InChI Key DTFKRVXLBCAIOZ-UHFFFAOYSA-N
Molecular Formula C8H10O
1,522

4-Nitrophenyl acetate, 97%

CAS: 830-03-5 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007326 InChI Key: QAUUDNIGJSLPSX-UHFFFAOYSA-N Synonym: p-nitrophenyl acetate,p-acetoxynitrobenzene,acetic acid, 4-nitrophenyl ester,p-nitrophenol acetate,acetic acid p-nitrophenyl ester,acetic acid, p-nitrophenyl ester,p-nitrophenyl acetate van,4-nitrophenyl acetate,unii-i902j0qh9s,acetic acid 4-nitrophenyl ester PubChem CID: 13243 ChEBI: CHEBI:82635 IUPAC Name: (4-nitrophenyl) acetate SMILES: CC(=O)OC1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 13243
CAS 830-03-5
Molecular Weight (g/mol) 181.15
ChEBI CHEBI:82635
MDL Number MFCD00007326
SMILES CC(=O)OC1=CC=C(C=C1)[N+]([O-])=O
Synonym p-nitrophenyl acetate,p-acetoxynitrobenzene,acetic acid, 4-nitrophenyl ester,p-nitrophenol acetate,acetic acid p-nitrophenyl ester,acetic acid, p-nitrophenyl ester,p-nitrophenyl acetate van,4-nitrophenyl acetate,unii-i902j0qh9s,acetic acid 4-nitrophenyl ester
IUPAC Name (4-nitrophenyl) acetate
InChI Key QAUUDNIGJSLPSX-UHFFFAOYSA-N
Molecular Formula C8H7NO4
1,523

trans-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)styrene, 97%

CAS: 83947-56-2 Molecular Formula: C14H19BO2 Molecular Weight (g/mol): 230.11 MDL Number: MFCD03453666 InChI Key: ARAINKADEARZLZ-ZHACJKMWSA-N Synonym: e-4,4,5,5-tetramethyl-2-styryl-1,3,2-dioxaborolane,e-phenylethenylboronic acid, pinacol ester,trans-styrylboronic acid, pinacol ester,beta-styrylboronic acid pinacol ester,trans-2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl styrene,4,4,5,5-tetramethyl-2-styryl-1,3,2-dioxaborolane,trans-beta-styrylboronic acid pinacol ester,trans-2-phenylvinylboronic acid pinacol ester,4,4,5,5-tetramethyl-2-e-2-phenylethenyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-e-2-phenylvinyl-1,3,2-dioxaborolane PubChem CID: 5708413 IUPAC Name: 4,4,5,5-tetramethyl-2-[(E)-2-phenylethenyl]-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)\C=C\C1=CC=CC=C1

PubChem CID 5708413
CAS 83947-56-2
Molecular Weight (g/mol) 230.11
MDL Number MFCD03453666
SMILES CC1(C)OB(OC1(C)C)\C=C\C1=CC=CC=C1
Synonym e-4,4,5,5-tetramethyl-2-styryl-1,3,2-dioxaborolane,e-phenylethenylboronic acid, pinacol ester,trans-styrylboronic acid, pinacol ester,beta-styrylboronic acid pinacol ester,trans-2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl styrene,4,4,5,5-tetramethyl-2-styryl-1,3,2-dioxaborolane,trans-beta-styrylboronic acid pinacol ester,trans-2-phenylvinylboronic acid pinacol ester,4,4,5,5-tetramethyl-2-e-2-phenylethenyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-e-2-phenylvinyl-1,3,2-dioxaborolane
IUPAC Name 4,4,5,5-tetramethyl-2-[(E)-2-phenylethenyl]-1,3,2-dioxaborolane
InChI Key ARAINKADEARZLZ-ZHACJKMWSA-N
Molecular Formula C14H19BO2
1,524

3-Formylbenzeneboronic acid

CAS: 87199-16-4 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00161356 InChI Key: HJBGZJMKTOMQRR-UHFFFAOYSA-N Synonym: 3-formylphenyl boronic acid,3-formylbenzeneboronic acid,3-boronobenzaldehyde,3-formyl phenylboronic acid,3-formylboronic acid,m-formylphenylboronic acid,3-dihydroxyboryl benzaldehyde,boronic acid, 3-formylphenyl,3-formylphenylboronicacid PubChem CID: 2734356 IUPAC Name: (3-formylphenyl)boronic acid SMILES: OB(O)C1=CC=CC(C=O)=C1

PubChem CID 2734356
CAS 87199-16-4
Molecular Weight (g/mol) 149.94
MDL Number MFCD00161356
SMILES OB(O)C1=CC=CC(C=O)=C1
Synonym 3-formylphenyl boronic acid,3-formylbenzeneboronic acid,3-boronobenzaldehyde,3-formyl phenylboronic acid,3-formylboronic acid,m-formylphenylboronic acid,3-dihydroxyboryl benzaldehyde,boronic acid, 3-formylphenyl,3-formylphenylboronicacid
IUPAC Name (3-formylphenyl)boronic acid
InChI Key HJBGZJMKTOMQRR-UHFFFAOYSA-N
Molecular Formula C7H7BO3
1,525

Benzyltriethylammonium bromide, 98+%

CAS: 5197-95-5 Molecular Formula: C13H22BrN Molecular Weight (g/mol): 272.23 MDL Number: MFCD00011822 InChI Key: CHQVQXZFZHACQQ-UHFFFAOYSA-M Synonym: benzyltriethylammonium bromide,n-benzyl-n,n-diethylethanaminium bromide,benzyl triethyl ammonium bromide,triethylbenzylammonium bromide,bteab,benzenemethanaminium, n,n,n-triethyl-, bromide,benzyltriethyl ammonium bromide,n-benzyl-n,n,n-triethylammoniumbromide,benzyltriethylazanium bromide,pubchem7797 PubChem CID: 165294 IUPAC Name: benzyl(triethyl)azanium;bromide SMILES: [Br-].CC[N+](CC)(CC)CC1=CC=CC=C1

PubChem CID 165294
CAS 5197-95-5
Molecular Weight (g/mol) 272.23
MDL Number MFCD00011822
SMILES [Br-].CC[N+](CC)(CC)CC1=CC=CC=C1
Synonym benzyltriethylammonium bromide,n-benzyl-n,n-diethylethanaminium bromide,benzyl triethyl ammonium bromide,triethylbenzylammonium bromide,bteab,benzenemethanaminium, n,n,n-triethyl-, bromide,benzyltriethyl ammonium bromide,n-benzyl-n,n,n-triethylammoniumbromide,benzyltriethylazanium bromide,pubchem7797
IUPAC Name benzyl(triethyl)azanium;bromide
InChI Key CHQVQXZFZHACQQ-UHFFFAOYSA-M
Molecular Formula C13H22BrN
1,526

2,6-Dichlorobenzoic Acid, 98+%

CAS: 50-30-6 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.01 MDL Number: MFCD00002418 InChI Key: MRUDNSFOFOQZDA-UHFFFAOYSA-N Synonym: benzoic acid, 2,6-dichloro,2,6-dichloro-benzoic acid,unii-634ri764qt,2,6 dichlorobenzoic acid,2,6-dichlorobenzoicacid,2,6-dichloro-benzoicacid,ccris 8610,pubchem20028,acmc-1auop,2.6-dichlorobenzoic acid PubChem CID: 5758 ChEBI: CHEBI:48623 IUPAC Name: 2,6-dichlorobenzoic acid SMILES: OC(=O)C1=C(Cl)C=CC=C1Cl

PubChem CID 5758
CAS 50-30-6
Molecular Weight (g/mol) 191.01
ChEBI CHEBI:48623
MDL Number MFCD00002418
SMILES OC(=O)C1=C(Cl)C=CC=C1Cl
Synonym benzoic acid, 2,6-dichloro,2,6-dichloro-benzoic acid,unii-634ri764qt,2,6 dichlorobenzoic acid,2,6-dichlorobenzoicacid,2,6-dichloro-benzoicacid,ccris 8610,pubchem20028,acmc-1auop,2.6-dichlorobenzoic acid
IUPAC Name 2,6-dichlorobenzoic acid
InChI Key MRUDNSFOFOQZDA-UHFFFAOYSA-N
Molecular Formula C7H4Cl2O2
1,527

4-Methoxy-3-(trifluoromethyl)benzeneboronic acid, 98%, Thermo Scientific Chemicals

CAS: 149507-36-8 Molecular Formula: C8H8BF3O3 Molecular Weight (g/mol): 219.954 MDL Number: MFCD07363790 InChI Key: BUSMBMGODABSIN-UHFFFAOYSA-N Synonym: 4-methoxy-3-trifluoromethyl phenyl boronic acid,4-methoxy-3-trifluoromethylphenylboronic acid,3-trifluoromethyl-4-methoxy-phenylboronic acid,4-methoxy-3-trifluoromethylphenyl boronic acid,4-methoxy-3-trifluoromethyl benzeneboronic acid,4-methoxy-3-trifluoromethyl phenylboronic acid,boronic acid, 4-methoxy-3-trifluoromethyl phenyl,acmc-1c5ik PubChem CID: 17750052 IUPAC Name: [4-methoxy-3-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)OC)C(F)(F)F)(O)O

PubChem CID 17750052
CAS 149507-36-8
Molecular Weight (g/mol) 219.954
MDL Number MFCD07363790
SMILES B(C1=CC(=C(C=C1)OC)C(F)(F)F)(O)O
Synonym 4-methoxy-3-trifluoromethyl phenyl boronic acid,4-methoxy-3-trifluoromethylphenylboronic acid,3-trifluoromethyl-4-methoxy-phenylboronic acid,4-methoxy-3-trifluoromethylphenyl boronic acid,4-methoxy-3-trifluoromethyl benzeneboronic acid,4-methoxy-3-trifluoromethyl phenylboronic acid,boronic acid, 4-methoxy-3-trifluoromethyl phenyl,acmc-1c5ik
IUPAC Name [4-methoxy-3-(trifluoromethyl)phenyl]boronic acid
InChI Key BUSMBMGODABSIN-UHFFFAOYSA-N
Molecular Formula C8H8BF3O3
1,528

4-Methoxyphenylhydrazine hydrochloride, 98%

CAS: 19501-58-7 Molecular Formula: C7H10N2O·ClH Molecular Weight (g/mol): 174.63 MDL Number: MFCD00012945 InChI Key: FQHCPFMTXFJZJS-UHFFFAOYSA-N Synonym: 4-methoxyphenylhydrazine hydrochloride,4-methoxyphenyl hydrazine hydrochloride,4-anisylhydrazine hydrochloride,4-methoxyphenylhydrazine hcl,p-methoxyphenylhydrazine hydrochloride,4-methoxyphenylhydrazine.hcl,1-4-methoxyphenyl hydrazine hydrochloride,p-anisylhydrazine hydrochloride,4-hydrazinoanisole hydrochloride,hydrazine, 4-methoxyphenyl-, monohydrochloride PubChem CID: 2723904 IUPAC Name: (4-methoxyphenyl)hydrazine;hydrochloride SMILES: COC1=CC=C(C=C1)NN.Cl

PubChem CID 2723904
CAS 19501-58-7
Molecular Weight (g/mol) 174.63
MDL Number MFCD00012945
SMILES COC1=CC=C(C=C1)NN.Cl
Synonym 4-methoxyphenylhydrazine hydrochloride,4-methoxyphenyl hydrazine hydrochloride,4-anisylhydrazine hydrochloride,4-methoxyphenylhydrazine hcl,p-methoxyphenylhydrazine hydrochloride,4-methoxyphenylhydrazine.hcl,1-4-methoxyphenyl hydrazine hydrochloride,p-anisylhydrazine hydrochloride,4-hydrazinoanisole hydrochloride,hydrazine, 4-methoxyphenyl-, monohydrochloride
IUPAC Name (4-methoxyphenyl)hydrazine;hydrochloride
InChI Key FQHCPFMTXFJZJS-UHFFFAOYSA-N
Molecular Formula C7H10N2O·ClH
1,529

2,4-Dimethoxybenzylamine, 98%

CAS: 20781-20-8 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.21 MDL Number: MFCD00052393 InChI Key: QOWBXWFYRXSBAS-UHFFFAOYSA-N Synonym: 2,4-dimethoxybenzylamine,2,4-dimethoxyphenyl methanamine,2,4-dimethoxy benzylamine,1-2,4-dimethoxyphenyl methanamine,benzenemethanamine, 2,4-dimethoxy,2,4-dimethoxybenzyl amine,2,4-dimethoxyphenyl methylamine,2, 4-dimethoxybenzylamine,pubchem7398,2,4dimethoxybenzylamine PubChem CID: 597250 IUPAC Name: (2,4-dimethoxyphenyl)methanamine SMILES: COC1=CC(=C(C=C1)CN)OC

PubChem CID 597250
CAS 20781-20-8
Molecular Weight (g/mol) 167.21
MDL Number MFCD00052393
SMILES COC1=CC(=C(C=C1)CN)OC
Synonym 2,4-dimethoxybenzylamine,2,4-dimethoxyphenyl methanamine,2,4-dimethoxy benzylamine,1-2,4-dimethoxyphenyl methanamine,benzenemethanamine, 2,4-dimethoxy,2,4-dimethoxybenzyl amine,2,4-dimethoxyphenyl methylamine,2, 4-dimethoxybenzylamine,pubchem7398,2,4dimethoxybenzylamine
IUPAC Name (2,4-dimethoxyphenyl)methanamine
InChI Key QOWBXWFYRXSBAS-UHFFFAOYSA-N
Molecular Formula C9H13NO2
1,530

3-Formylphenylboronic acid, 97%

CAS: 87199-16-4 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00161356 InChI Key: HJBGZJMKTOMQRR-UHFFFAOYSA-N Synonym: 3-formylphenyl boronic acid,3-formylbenzeneboronic acid,3-boronobenzaldehyde,3-formyl phenylboronic acid,3-formylboronic acid,m-formylphenylboronic acid,3-dihydroxyboryl benzaldehyde,boronic acid, 3-formylphenyl,3-formylphenylboronicacid PubChem CID: 2734356 IUPAC Name: (3-formylphenyl)boronic acid SMILES: OB(O)C1=CC=CC(C=O)=C1

PubChem CID 2734356
CAS 87199-16-4
Molecular Weight (g/mol) 149.94
MDL Number MFCD00161356
SMILES OB(O)C1=CC=CC(C=O)=C1
Synonym 3-formylphenyl boronic acid,3-formylbenzeneboronic acid,3-boronobenzaldehyde,3-formyl phenylboronic acid,3-formylboronic acid,m-formylphenylboronic acid,3-dihydroxyboryl benzaldehyde,boronic acid, 3-formylphenyl,3-formylphenylboronicacid
IUPAC Name (3-formylphenyl)boronic acid
InChI Key HJBGZJMKTOMQRR-UHFFFAOYSA-N
Molecular Formula C7H7BO3