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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 (100,665)
Phenols (19,660)
Naphthalenes (5,805)
Phenol esters (2,809)
Unsubstituted Phenols (1,314)
Fluorenes (1,281)
Thiophenols (655)
Anthracenes (493)
Indanes (420)
Phenanthrenes and derivatives (362)
Tetralins (339)
Triphenyl compounds (278)
Pyrenes (274)
Dibenzocycloheptenes (61)
Naphthacenes (37)
Ellagic acids and derivatives (33)
Pentacenes (20)
Acenaphthylenes (17)
Pentacenequinones (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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6,271 – 6,285 of 121,251 results
6,271

3-Nitrobenzotrifluoride 96.0+%, TCI America™

CAS: 98-46-4 Molecular Formula: C7H4F3NO2 Molecular Weight (g/mol): 191.109 MDL Number: MFCD00007260 InChI Key: WHNAMGUAXHGCHH-UHFFFAOYSA-N Synonym: 3-nitrobenzotrifluoride,1-nitro-3-trifluoromethyl benzene,m-nitrobenzotrifluoride,3-trifluoromethyl nitrobenzene,m-nitrotrifluorotoluene,benzene, 1-nitro-3-trifluoromethyl,1,3-nitrobenzotrifluoride,m-nitrotrifluortoluol,usaf ma-5,3-trifluoromethylnitrobenzene PubChem CID: 7386 IUPAC Name: 1-nitro-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F

PubChem CID 7386
CAS 98-46-4
Molecular Weight (g/mol) 191.109
MDL Number MFCD00007260
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F
Synonym 3-nitrobenzotrifluoride,1-nitro-3-trifluoromethyl benzene,m-nitrobenzotrifluoride,3-trifluoromethyl nitrobenzene,m-nitrotrifluorotoluene,benzene, 1-nitro-3-trifluoromethyl,1,3-nitrobenzotrifluoride,m-nitrotrifluortoluol,usaf ma-5,3-trifluoromethylnitrobenzene
IUPAC Name 1-nitro-3-(trifluoromethyl)benzene
InChI Key WHNAMGUAXHGCHH-UHFFFAOYSA-N
Molecular Formula C7H4F3NO2
6,272

9-Methylanthracene 98.0+%, TCI America™

CAS: 779-02-2 Molecular Formula: C15H12 Molecular Weight (g/mol): 192.26 MDL Number: MFCD00001261 InChI Key: CPGPAVAKSZHMBP-UHFFFAOYSA-N Synonym: anthracene, 9-methyl,unii-65nk4cin03,ccris 2740,9-methyl anthracene,9-methyl-anthracene,anthracen-9-ylmethyl,acmc-209pcm,9-methylanthracene,wln: l c666j b1,9-methylanthracene, analytical standard PubChem CID: 13068 IUPAC Name: 9-methylanthracene SMILES: CC1=C2C=CC=CC2=CC2=CC=CC=C12

PubChem CID 13068
CAS 779-02-2
Molecular Weight (g/mol) 192.26
MDL Number MFCD00001261
SMILES CC1=C2C=CC=CC2=CC2=CC=CC=C12
Synonym anthracene, 9-methyl,unii-65nk4cin03,ccris 2740,9-methyl anthracene,9-methyl-anthracene,anthracen-9-ylmethyl,acmc-209pcm,9-methylanthracene,wln: l c666j b1,9-methylanthracene, analytical standard
IUPAC Name 9-methylanthracene
InChI Key CPGPAVAKSZHMBP-UHFFFAOYSA-N
Molecular Formula C15H12
6,273

m-Anisaldehyde 98.0+%, TCI America™

CAS: 591-31-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003361 InChI Key: WMPDAIZRQDCGFH-UHFFFAOYSA-N Synonym: m-anisaldehyde,3-anisaldehyde,benzaldehyde, 3-methoxy,m-methoxybenzaldehyde,metamethoxybenzaldehyde,3-methoxy-benzaldehyde,unii-8zao7s0ivh,ccris 960,meta-anisaldehyde,8zao7s0ivh PubChem CID: 11569 IUPAC Name: 3-methoxybenzaldehyde SMILES: COC1=CC=CC(=C1)C=O

PubChem CID 11569
CAS 591-31-1
Molecular Weight (g/mol) 136.15
MDL Number MFCD00003361
SMILES COC1=CC=CC(=C1)C=O
Synonym m-anisaldehyde,3-anisaldehyde,benzaldehyde, 3-methoxy,m-methoxybenzaldehyde,metamethoxybenzaldehyde,3-methoxy-benzaldehyde,unii-8zao7s0ivh,ccris 960,meta-anisaldehyde,8zao7s0ivh
IUPAC Name 3-methoxybenzaldehyde
InChI Key WMPDAIZRQDCGFH-UHFFFAOYSA-N
Molecular Formula C8H8O2
6,274

4-Formylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™

CAS: 87199-17-5 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00151823 InChI Key: VXWBQOJISHAKKM-UHFFFAOYSA-N Synonym: 4-formylphenyl boronic acid,4-formylbenzeneboronic acid,4-boronobenzaldehyde,boronic acid, 4-formylphenyl,boronic acid, b-4-formylphenyl,p-formylphenylboronic acid,4-dihydroxyboryl benzaldehyde,4-dihydroxyboranyl benzaldehyde,4-benzaldehyde boronic acid,4-formyl-phenylboronic acid PubChem CID: 591073 IUPAC Name: (4-formylphenyl)boronic acid SMILES: OB(O)C1=CC=C(C=O)C=C1

PubChem CID 591073
CAS 87199-17-5
Molecular Weight (g/mol) 149.94
MDL Number MFCD00151823
SMILES OB(O)C1=CC=C(C=O)C=C1
Synonym 4-formylphenyl boronic acid,4-formylbenzeneboronic acid,4-boronobenzaldehyde,boronic acid, 4-formylphenyl,boronic acid, b-4-formylphenyl,p-formylphenylboronic acid,4-dihydroxyboryl benzaldehyde,4-dihydroxyboranyl benzaldehyde,4-benzaldehyde boronic acid,4-formyl-phenylboronic acid
IUPAC Name (4-formylphenyl)boronic acid
InChI Key VXWBQOJISHAKKM-UHFFFAOYSA-N
Molecular Formula C7H7BO3
6,275

4-Hydroxybenzotrifluoride 98.0+%, TCI America™

CAS: 402-45-9 Molecular Formula: C7H5F3O Molecular Weight (g/mol): 162.111 MDL Number: MFCD00002363 InChI Key: BAYGVMXZJBFEMB-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenol,4-hydroxybenzotrifluoride,alpha,alpha,alpha-trifluoro-p-cresol,p-trifluoromethylphenol,p-hydroxybenzotrifluoride,phenol, 4-trifluoromethyl,a,a,a-trifluoro-p-cresol,4-trifluoromethyl-phenol,para-trifluoromethylphenol PubChem CID: 67874 ChEBI: CHEBI:42578 IUPAC Name: 4-(trifluoromethyl)phenol SMILES: C1=CC(=CC=C1C(F)(F)F)O

PubChem CID 67874
CAS 402-45-9
Molecular Weight (g/mol) 162.111
ChEBI CHEBI:42578
MDL Number MFCD00002363
SMILES C1=CC(=CC=C1C(F)(F)F)O
Synonym 4-trifluoromethyl phenol,4-hydroxybenzotrifluoride,alpha,alpha,alpha-trifluoro-p-cresol,p-trifluoromethylphenol,p-hydroxybenzotrifluoride,phenol, 4-trifluoromethyl,a,a,a-trifluoro-p-cresol,4-trifluoromethyl-phenol,para-trifluoromethylphenol
IUPAC Name 4-(trifluoromethyl)phenol
InChI Key BAYGVMXZJBFEMB-UHFFFAOYSA-N
Molecular Formula C7H5F3O
6,276

3-Fluoro-N-methylbenzylamine 97.0+%, TCI America™

CAS: 90389-84-7 Molecular Formula: C8H10FN Molecular Weight (g/mol): 139.17 MDL Number: MFCD04623547 InChI Key: ZXWCKKSSCIFVBT-UHFFFAOYSA-N Synonym: 3-fluorobenzyl methylamine,n-methyl-3-fluorobenzylamine,3-fluoro-n-methylbenzylamine,1-3-fluorophenyl-n-methylmethanamine,benzenemethanamine, 3-fluoro-n-methyl,3-fluorophenyl methyl methyl amine,1-3-fluorophenyl-n-methyl-methanamine,3-fluorophenyl-n-methylmethanamine,3-fluorobenzyl-methylamine,acmc-209r5x PubChem CID: 457577 IUPAC Name: [(3-fluorophenyl)methyl](methyl)amine SMILES: CNCC1=CC=CC(F)=C1

PubChem CID 457577
CAS 90389-84-7
Molecular Weight (g/mol) 139.17
MDL Number MFCD04623547
SMILES CNCC1=CC=CC(F)=C1
Synonym 3-fluorobenzyl methylamine,n-methyl-3-fluorobenzylamine,3-fluoro-n-methylbenzylamine,1-3-fluorophenyl-n-methylmethanamine,benzenemethanamine, 3-fluoro-n-methyl,3-fluorophenyl methyl methyl amine,1-3-fluorophenyl-n-methyl-methanamine,3-fluorophenyl-n-methylmethanamine,3-fluorobenzyl-methylamine,acmc-209r5x
IUPAC Name [(3-fluorophenyl)methyl](methyl)amine
InChI Key ZXWCKKSSCIFVBT-UHFFFAOYSA-N
Molecular Formula C8H10FN
6,277

Benzethonium Chloride 97.0+%, TCI America™

CAS: 121-54-0 Molecular Formula: C27H42ClNO2 Molecular Weight (g/mol): 448.088 MDL Number: MFCD00011742 InChI Key: UREZNYTWGJKWBI-UHFFFAOYSA-M Synonym: benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin PubChem CID: 8478 ChEBI: CHEBI:31264 IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

PubChem CID 8478
CAS 121-54-0
Molecular Weight (g/mol) 448.088
ChEBI CHEBI:31264
MDL Number MFCD00011742
SMILES CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
Synonym benzethonium chloride,quatrachlor,hyamine,phemeride,phemerol chloride,benzethoniumchloride,phemithyn,disilyn,kylacol,solamin
IUPAC Name benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride
InChI Key UREZNYTWGJKWBI-UHFFFAOYSA-M
Molecular Formula C27H42ClNO2
6,278

Sulfosalicylic Acid, Certified, 20.0% (w/v) ±0.5%, LabChem™

CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 IUPAC Name: 2-hydroxy-5-sulfobenzoic acid; bis(methane) SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O

PubChem CID 2723734
CAS 5965-83-3
Molecular Weight (g/mol) 250.27
MDL Number MFCD00007508,MFCD00149540
SMILES C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
Synonym 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd
IUPAC Name 2-hydroxy-5-sulfobenzoic acid; bis(methane)
InChI Key NFYHZVWMQHQKRU-UHFFFAOYSA-N
Molecular Formula C9H14O6S
6,279

Benzyl Alcohol 99.0+%, TCI America™

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
6,280

2-Chloronaphthalene 98.0+%, TCI America™

CAS: 91-58-7 Molecular Formula: C10H7Cl Molecular Weight (g/mol): 162.616 MDL Number: MFCD00035731 InChI Key: CGYGETOMCSJHJU-UHFFFAOYSA-N Synonym: naphthalene, 2-chloro,2-chloro naphthalene,beta-chloronaphthalene,halowax,2-chlornaftalen,rcra waste number u047,2-chloro-naphthalene,.beta.-chloronaphthalene,2-chlornaftalen czech,unii-49o81u3iti PubChem CID: 7056 IUPAC Name: 2-chloronaphthalene SMILES: C1=CC=C2C=C(C=CC2=C1)Cl

PubChem CID 7056
CAS 91-58-7
Molecular Weight (g/mol) 162.616
MDL Number MFCD00035731
SMILES C1=CC=C2C=C(C=CC2=C1)Cl
Synonym naphthalene, 2-chloro,2-chloro naphthalene,beta-chloronaphthalene,halowax,2-chlornaftalen,rcra waste number u047,2-chloro-naphthalene,.beta.-chloronaphthalene,2-chlornaftalen czech,unii-49o81u3iti
IUPAC Name 2-chloronaphthalene
InChI Key CGYGETOMCSJHJU-UHFFFAOYSA-N
Molecular Formula C10H7Cl
6,281

4-Fluorobenzyl Chloride 98.0+%, TCI America™

CAS: 352-11-4 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.573 MDL Number: MFCD00000913 InChI Key: IZXWCDITFDNEBY-UHFFFAOYSA-N Synonym: 4-fluorobenzyl chloride,1-chloromethyl-4-fluorobenzene,alpha-chloro-p-fluorotoluene,p-fluorobenzyl chloride,4-fluorobenzylchloride,benzene, 1-chloromethyl-4-fluoro,1-chloromethyl-4-fluoro-benzene,alpha-chloro-4-fluorotoluene,ccris 5107,chloro-4-fluorotoluene PubChem CID: 9602 IUPAC Name: 1-(chloromethyl)-4-fluorobenzene SMILES: C1=CC(=CC=C1CCl)F

PubChem CID 9602
CAS 352-11-4
Molecular Weight (g/mol) 144.573
MDL Number MFCD00000913
SMILES C1=CC(=CC=C1CCl)F
Synonym 4-fluorobenzyl chloride,1-chloromethyl-4-fluorobenzene,alpha-chloro-p-fluorotoluene,p-fluorobenzyl chloride,4-fluorobenzylchloride,benzene, 1-chloromethyl-4-fluoro,1-chloromethyl-4-fluoro-benzene,alpha-chloro-4-fluorotoluene,ccris 5107,chloro-4-fluorotoluene
IUPAC Name 1-(chloromethyl)-4-fluorobenzene
InChI Key IZXWCDITFDNEBY-UHFFFAOYSA-N
Molecular Formula C7H6ClF
6,282

2-Cinnamoylthiophene 98.0+%, TCI America™

CAS: 3988-77-0 Molecular Formula: C13H10OS Molecular Weight (g/mol): 214.282 MDL Number: MFCD00059742 InChI Key: DDNPADUKGZMCHV-CMDGGOBGSA-N Synonym: 3-Phenyl-1-(2-thienyl)-2-propen-1-one, Styryl 2-Thienyl Ketone PubChem CID: 5702653 IUPAC Name: (E)-3-phenyl-1-thiophen-2-ylprop-2-en-1-one SMILES: C1=CC=C(C=C1)C=CC(=O)C2=CC=CS2

PubChem CID 5702653
CAS 3988-77-0
Molecular Weight (g/mol) 214.282
MDL Number MFCD00059742
SMILES C1=CC=C(C=C1)C=CC(=O)C2=CC=CS2
Synonym 3-Phenyl-1-(2-thienyl)-2-propen-1-one, Styryl 2-Thienyl Ketone
IUPAC Name (E)-3-phenyl-1-thiophen-2-ylprop-2-en-1-one
InChI Key DDNPADUKGZMCHV-CMDGGOBGSA-N
Molecular Formula C13H10OS
6,283

4-Fluorothioanisole 98.0+%, TCI America™

CAS: 371-15-3 Molecular Formula: C7H7FS Molecular Weight (g/mol): 142.191 MDL Number: MFCD00040829 InChI Key: XFUMHENRNCUHOH-UHFFFAOYSA-N Synonym: 4-fluorothioanisole,1-fluoro-4-methylthio benzene,4-fluorophenyl methyl sulfide,4-fluoro thioanisole,1-fluoro-4-methylsulfanyl-benzene,1-fluoro-4-methylsulfanyl benzene,p-fluoro methylthio benzene,benzene, 1-fluoro-4-methylthio,4-fluoro-1-methylthiobenzene,pubchem10641 PubChem CID: 3083565 IUPAC Name: 1-fluoro-4-methylsulfanylbenzene SMILES: CSC1=CC=C(C=C1)F

PubChem CID 3083565
CAS 371-15-3
Molecular Weight (g/mol) 142.191
MDL Number MFCD00040829
SMILES CSC1=CC=C(C=C1)F
Synonym 4-fluorothioanisole,1-fluoro-4-methylthio benzene,4-fluorophenyl methyl sulfide,4-fluoro thioanisole,1-fluoro-4-methylsulfanyl-benzene,1-fluoro-4-methylsulfanyl benzene,p-fluoro methylthio benzene,benzene, 1-fluoro-4-methylthio,4-fluoro-1-methylthiobenzene,pubchem10641
IUPAC Name 1-fluoro-4-methylsulfanylbenzene
InChI Key XFUMHENRNCUHOH-UHFFFAOYSA-N
Molecular Formula C7H7FS
6,284

3-tert-Butyl-5-ethyltoluene 98.0+%, TCI America™

CAS: 6630-01-9 Molecular Formula: C13H20 Molecular Weight (g/mol): 176.30 MDL Number: MFCD00026954 InChI Key: URDKTSKLGNWKDB-UHFFFAOYSA-N PubChem CID: 23114 IUPAC Name: 1-tert-butyl-3-ethyl-5-methylbenzene SMILES: CCC1=CC(=CC(=C1)C)C(C)(C)C

PubChem CID 23114
CAS 6630-01-9
Molecular Weight (g/mol) 176.30
MDL Number MFCD00026954
SMILES CCC1=CC(=CC(=C1)C)C(C)(C)C
IUPAC Name 1-tert-butyl-3-ethyl-5-methylbenzene
InChI Key URDKTSKLGNWKDB-UHFFFAOYSA-N
Molecular Formula C13H20
6,285

2-[2-(Trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 98.0+%, TCI America™

CAS: 1073339-21-5 Molecular Formula: C13H16BF3O2 Molecular Weight (g/mol): 272.074 MDL Number: MFCD06795676 InChI Key: HBQNDHPCMDZKNT-UHFFFAOYSA-N Synonym: 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)benzene PubChem CID: 17750282 IUPAC Name: 4,4,5,5-tetramethyl-2-[2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(F)(F)F

PubChem CID 17750282
CAS 1073339-21-5
Molecular Weight (g/mol) 272.074
MDL Number MFCD06795676
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(F)(F)F
Synonym 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)benzene
IUPAC Name 4,4,5,5-tetramethyl-2-[2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
InChI Key HBQNDHPCMDZKNT-UHFFFAOYSA-N
Molecular Formula C13H16BF3O2