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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 (137)
Phenols (32)
Naphthalenes (19)
Naphthacenes (5)
Phenanthrenes and derivatives (2)
Phenol esters (1)
Unsubstituted Phenols (1)

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1 – 15 of 171 results
1

4-Cyanostyrene, 97%, stab. with 0.05% 4-tert-butyl catechol

CAS: 3435-51-6 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00080445 InChI Key: SNTUCKQYWGHZPK-UHFFFAOYSA-N PubChem CID: 76967 IUPAC Name: 4-ethenylbenzonitrile SMILES: C=CC1=CC=C(C=C1)C#N

PubChem CID 76967
CAS 3435-51-6
Molecular Weight (g/mol) 129.16
MDL Number MFCD00080445
SMILES C=CC1=CC=C(C=C1)C#N
IUPAC Name 4-ethenylbenzonitrile
InChI Key SNTUCKQYWGHZPK-UHFFFAOYSA-N
Molecular Formula C9H7N
2

3,5-Dibromotoluene 98.0+%, TCI America™

CAS: 1611-92-3 Molecular Formula: C7H6Br2 Molecular Weight (g/mol): 249.93 MDL Number: MFCD00013528 InChI Key: DPKKOVGCHDUSAI-UHFFFAOYSA-N Synonym: 3,5-dibromotoluene,benzene, 1,3-dibromo-5-methyl,toluene, 3,5-dibromo,3 ,5-dibromotoluene,1,3-dibromo-5-methyl-benzene,5-dibromotoluene,3,5-dibromo toluene,3,5-dibromo-toluene,pubchem3934,acmc-1bs6w PubChem CID: 15361 IUPAC Name: 1,3-dibromo-5-methylbenzene SMILES: CC1=CC(Br)=CC(Br)=C1

PubChem CID 15361
CAS 1611-92-3
Molecular Weight (g/mol) 249.93
MDL Number MFCD00013528
SMILES CC1=CC(Br)=CC(Br)=C1
Synonym 3,5-dibromotoluene,benzene, 1,3-dibromo-5-methyl,toluene, 3,5-dibromo,3 ,5-dibromotoluene,1,3-dibromo-5-methyl-benzene,5-dibromotoluene,3,5-dibromo toluene,3,5-dibromo-toluene,pubchem3934,acmc-1bs6w
IUPAC Name 1,3-dibromo-5-methylbenzene
InChI Key DPKKOVGCHDUSAI-UHFFFAOYSA-N
Molecular Formula C7H6Br2
3

3-Nitrobenzoic Acid 99.0+%, TCI America™

CAS: 121-92-6 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007251 InChI Key: AFPHTEQTJZKQAQ-UHFFFAOYSA-N Synonym: 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid PubChem CID: 8497 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O

PubChem CID 8497
CAS 121-92-6
Molecular Weight (g/mol) 167.12
MDL Number MFCD00007251
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
Synonym 3-nitrobenzoic acid,m-nitrobenzoic acid,benzoic acid, 3-nitro,benzoic acid, m-nitro,meta-nitrobenzoic acid,metanitrobenzoic acid,m-nitrobenzenecarboxylic acid,3-nitro-benzoic acid,ccris 2335,nitrobenzoic 3-acid
InChI Key AFPHTEQTJZKQAQ-UHFFFAOYSA-N
Molecular Formula C7H5NO4
4

Naphthacene 97.0+%, TCI America™

CAS: 92-24-0 Molecular Formula: C18H12 Molecular Weight (g/mol): 228.294 MDL Number: MFCD00003702 InChI Key: IFLREYGFSNHWGE-UHFFFAOYSA-N Synonym: naphthacene,2,3-benzanthracene,rubene,benz b anthracene,2,3-benzanthrene,chrysogen,hydrocarbon,unii-qyj5z6712r,ccris 1183 PubChem CID: 7080 ChEBI: CHEBI:32600 IUPAC Name: tetracene SMILES: C1=CC=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1

PubChem CID 7080
CAS 92-24-0
Molecular Weight (g/mol) 228.294
ChEBI CHEBI:32600
MDL Number MFCD00003702
SMILES C1=CC=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1
Synonym naphthacene,2,3-benzanthracene,rubene,benz b anthracene,2,3-benzanthrene,chrysogen,hydrocarbon,unii-qyj5z6712r,ccris 1183
IUPAC Name tetracene
InChI Key IFLREYGFSNHWGE-UHFFFAOYSA-N
Molecular Formula C18H12
5

2,3-Dihydroxynaphthalene 98.0+%, TCI America™

CAS: 92-44-4 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00004073 InChI Key: JRNGUTKWMSBIBF-UHFFFAOYSA-N Synonym: 2,3-dihydroxynaphthalene,2,3-naphthalenediol,2,3-dihydroxynapthalene,2,3-dihydroxy naphthalene,2,3-dihydroxynaphthlene,naphthalenediol-2,3,3-hydroxy-2-naphthol,2,3dihydroxynaphthalene,acmc-209rfr,2,3-dihydroxylnaphthalene PubChem CID: 7091 ChEBI: CHEBI:38135 IUPAC Name: naphthalene-2,3-diol SMILES: OC1=C(O)C=C2C=CC=CC2=C1

PubChem CID 7091
CAS 92-44-4
Molecular Weight (g/mol) 160.17
ChEBI CHEBI:38135
MDL Number MFCD00004073
SMILES OC1=C(O)C=C2C=CC=CC2=C1
Synonym 2,3-dihydroxynaphthalene,2,3-naphthalenediol,2,3-dihydroxynapthalene,2,3-dihydroxy naphthalene,2,3-dihydroxynaphthlene,naphthalenediol-2,3,3-hydroxy-2-naphthol,2,3dihydroxynaphthalene,acmc-209rfr,2,3-dihydroxylnaphthalene
IUPAC Name naphthalene-2,3-diol
InChI Key JRNGUTKWMSBIBF-UHFFFAOYSA-N
Molecular Formula C10H8O2
6

2,3,4-Trifluorotoluene 97.0+%, TCI America™

CAS: 193533-92-5 Molecular Formula: C7H5F3 Molecular Weight (g/mol): 146.112 MDL Number: MFCD00075194 InChI Key: LRQPEHJWTXCLQY-UHFFFAOYSA-N PubChem CID: 2777991 IUPAC Name: 1,2,3-trifluoro-4-methylbenzene SMILES: CC1=C(C(=C(C=C1)F)F)F

PubChem CID 2777991
CAS 193533-92-5
Molecular Weight (g/mol) 146.112
MDL Number MFCD00075194
SMILES CC1=C(C(=C(C=C1)F)F)F
IUPAC Name 1,2,3-trifluoro-4-methylbenzene
InChI Key LRQPEHJWTXCLQY-UHFFFAOYSA-N
Molecular Formula C7H5F3
7

4-Phenylphenol 99.0+%, TCI America™

CAS: 92-69-3 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.211 MDL Number: MFCD00002347 InChI Key: YXVFYQXJAXKLAK-UHFFFAOYSA-N Synonym: 4-hydroxybiphenyl,1,1'-biphenyl-4-ol,biphenyl-4-ol,p-phenylphenol,4-biphenylol,p-hydroxybiphenyl,4-hydroxydiphenyl,p-hydroxydiphenyl,p-biphenylol,4-diphenylol PubChem CID: 7103 ChEBI: CHEBI:34422 IUPAC Name: 4-phenylphenol SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)O

PubChem CID 7103
CAS 92-69-3
Molecular Weight (g/mol) 170.211
ChEBI CHEBI:34422
MDL Number MFCD00002347
SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)O
Synonym 4-hydroxybiphenyl,1,1'-biphenyl-4-ol,biphenyl-4-ol,p-phenylphenol,4-biphenylol,p-hydroxybiphenyl,4-hydroxydiphenyl,p-hydroxydiphenyl,p-biphenylol,4-diphenylol
IUPAC Name 4-phenylphenol
InChI Key YXVFYQXJAXKLAK-UHFFFAOYSA-N
Molecular Formula C12H10O
8

Phenyl Trimethylsilylmethyl Sulfone 95.0+%, TCI America™

CAS: 17872-92-3 Molecular Formula: C10H16O2SSi Molecular Weight (g/mol): 228.38 MDL Number: MFCD00012364 InChI Key: OEXJFEDAGJGOEP-UHFFFAOYSA-N Synonym: (Phenylsulfonylmethyl)trimethylsilane PubChem CID: 3290840 IUPAC Name: [(benzenesulfonyl)methyl]trimethylsilane SMILES: C[Si](C)(C)CS(=O)(=O)C1=CC=CC=C1

PubChem CID 3290840
CAS 17872-92-3
Molecular Weight (g/mol) 228.38
MDL Number MFCD00012364
SMILES C[Si](C)(C)CS(=O)(=O)C1=CC=CC=C1
Synonym (Phenylsulfonylmethyl)trimethylsilane
IUPAC Name [(benzenesulfonyl)methyl]trimethylsilane
InChI Key OEXJFEDAGJGOEP-UHFFFAOYSA-N
Molecular Formula C10H16O2SSi
9

3,5-Bis(3,5-dimethoxybenzyloxy)benzyl Alcohol 94.0+%, TCI America™

CAS: 176650-92-3 Molecular Formula: C25H28O7 Molecular Weight (g/mol): 440.49 MDL Number: MFCD03844779 InChI Key: TWHQMXZJXJJPKN-UHFFFAOYSA-N PubChem CID: 15778112 IUPAC Name: {3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl}methanol SMILES: COC1=CC(OC)=CC(COC2=CC(OCC3=CC(OC)=CC(OC)=C3)=CC(CO)=C2)=C1

PubChem CID 15778112
CAS 176650-92-3
Molecular Weight (g/mol) 440.49
MDL Number MFCD03844779
SMILES COC1=CC(OC)=CC(COC2=CC(OCC3=CC(OC)=CC(OC)=C3)=CC(CO)=C2)=C1
IUPAC Name {3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl}methanol
InChI Key TWHQMXZJXJJPKN-UHFFFAOYSA-N
Molecular Formula C25H28O7
10

1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea 98.0+%, TCI America™

CAS: 1060-92-0 Molecular Formula: C17H8F12N2S Molecular Weight (g/mol): 500.306 InChI Key: RWXWQJYJWJNJNW-UHFFFAOYSA-N PubChem CID: 2803772 IUPAC Name: 1,3-bis[3,5-bis(trifluoromethyl)phenyl]thiourea SMILES: C1=C(C=C(C=C1C(F)(F)F)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(F)(F)F

PubChem CID 2803772
CAS 1060-92-0
Molecular Weight (g/mol) 500.306
SMILES C1=C(C=C(C=C1C(F)(F)F)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(F)(F)F
IUPAC Name 1,3-bis[3,5-bis(trifluoromethyl)phenyl]thiourea
InChI Key RWXWQJYJWJNJNW-UHFFFAOYSA-N
Molecular Formula C17H8F12N2S
11

4-(4-Chlorophenoxy)benzonitrile 98.0+%, TCI America™

CAS: 74448-92-3 Molecular Formula: C13H8ClNO Molecular Weight (g/mol): 229.663 InChI Key: SOTAPBLDXLHNRZ-UHFFFAOYSA-N Synonym: 4-Chloro-4′C-cyanodiphenyl Ether PubChem CID: 11195570 IUPAC Name: 4-(4-chlorophenoxy)benzonitrile SMILES: C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)Cl

PubChem CID 11195570
CAS 74448-92-3
Molecular Weight (g/mol) 229.663
SMILES C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)Cl
Synonym 4-Chloro-4′C-cyanodiphenyl Ether
IUPAC Name 4-(4-chlorophenoxy)benzonitrile
InChI Key SOTAPBLDXLHNRZ-UHFFFAOYSA-N
Molecular Formula C13H8ClNO
12

3-Hydroxy-2-naphthoic Acid 98.0+%, TCI America™

CAS: 92-70-6 Molecular Formula: C11H8O3 Molecular Weight (g/mol): 188.182 MDL Number: MFCD00004103 InChI Key: ALKYHXVLJMQRLQ-UHFFFAOYSA-N Synonym: 3-hydroxy-2-naphthoic acid,2-hydroxy-3-naphthoic acid,bon acid,bona,developer bon,2-naphthol-3-carboxylic acid,2-naphthalenecarboxylic acid, 3-hydroxy,b.o.n. acid,c.i. developer 20,miketazol developer ons PubChem CID: 7104 ChEBI: CHEBI:80383 IUPAC Name: 3-hydroxynaphthalene-2-carboxylic acid SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)O)O

PubChem CID 7104
CAS 92-70-6
Molecular Weight (g/mol) 188.182
ChEBI CHEBI:80383
MDL Number MFCD00004103
SMILES C1=CC=C2C=C(C(=CC2=C1)C(=O)O)O
Synonym 3-hydroxy-2-naphthoic acid,2-hydroxy-3-naphthoic acid,bon acid,bona,developer bon,2-naphthol-3-carboxylic acid,2-naphthalenecarboxylic acid, 3-hydroxy,b.o.n. acid,c.i. developer 20,miketazol developer ons
IUPAC Name 3-hydroxynaphthalene-2-carboxylic acid
InChI Key ALKYHXVLJMQRLQ-UHFFFAOYSA-N
Molecular Formula C11H8O3
13

trans,trans-4-(3,4-Difluorophenyl)-4'-vinylbicyclohexyl 98.0+%, TCI America™

CAS: 142400-92-8 Molecular Formula: C20H26F2 Molecular Weight (g/mol): 304.425 MDL Number: MFCD09842838 InChI Key: ALFLDQIYGBNZCO-UHFFFAOYSA-N Synonym: trans,trans-4-3,4-difluorophenyl-4'-vinyl-1,1'-bi cyclohexane,trans,trans-4-3,4-difluorophenyl-4'-vinylbicyclohexyl,trans-4-3,4-difluorophenyl-trans-4'-vinylbicyclohexane,benzene, 4-trans,trans-4'-ethenyl 1,1'-bicyclohexyl-4-yl-1,2-difluoro,trans trans-4-4'-ethenyl 1,1'-bicyclohexyl-4-yl-1,2-difluorobenzene,trans,trans-4-3,4-difluoro-phenyl-4'-vinyl-bicyclohexyl,4-3,4-difluorophenyl-4'-vinylbi cyclohexane,4-e-1,2-dicyclohexylethenyl-1,2-difluorobenzene,4-vinyl-4'-3,4-difluorophenyl-1,1'-bicyclohexane,trans-4-3,4-difluorophenyl-trans-4-vinylbicyclohexane PubChem CID: 12010662 IUPAC Name: 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene SMILES: C=CC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F

PubChem CID 12010662
CAS 142400-92-8
Molecular Weight (g/mol) 304.425
MDL Number MFCD09842838
SMILES C=CC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F
Synonym trans,trans-4-3,4-difluorophenyl-4'-vinyl-1,1'-bi cyclohexane,trans,trans-4-3,4-difluorophenyl-4'-vinylbicyclohexyl,trans-4-3,4-difluorophenyl-trans-4'-vinylbicyclohexane,benzene, 4-trans,trans-4'-ethenyl 1,1'-bicyclohexyl-4-yl-1,2-difluoro,trans trans-4-4'-ethenyl 1,1'-bicyclohexyl-4-yl-1,2-difluorobenzene,trans,trans-4-3,4-difluoro-phenyl-4'-vinyl-bicyclohexyl,4-3,4-difluorophenyl-4'-vinylbi cyclohexane,4-e-1,2-dicyclohexylethenyl-1,2-difluorobenzene,4-vinyl-4'-3,4-difluorophenyl-1,1'-bicyclohexane,trans-4-3,4-difluorophenyl-trans-4-vinylbicyclohexane
IUPAC Name 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
InChI Key ALFLDQIYGBNZCO-UHFFFAOYSA-N
Molecular Formula C20H26F2
14

3-Amino-o-cresol 98.0+%, TCI America™

CAS: 53222-92-7 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 InChI Key: FLROJJGKUKLCAE-UHFFFAOYSA-N Synonym: 3-amino-o-cresol,phenol, 3-amino-2-methyl,2-amino-o-cresol,2-methyl-3-aminophenol,3-hydroxy-2-methylaniline,aminokresol,o-cresol, 3-amino,pubchem15039,2-methyl-3-amino-phenol,3-amino-2-methyl phenol PubChem CID: 104448 IUPAC Name: 3-amino-2-methylphenol SMILES: CC1=C(C=CC=C1O)N

PubChem CID 104448
CAS 53222-92-7
Molecular Weight (g/mol) 123.155
SMILES CC1=C(C=CC=C1O)N
Synonym 3-amino-o-cresol,phenol, 3-amino-2-methyl,2-amino-o-cresol,2-methyl-3-aminophenol,3-hydroxy-2-methylaniline,aminokresol,o-cresol, 3-amino,pubchem15039,2-methyl-3-amino-phenol,3-amino-2-methyl phenol
IUPAC Name 3-amino-2-methylphenol
InChI Key FLROJJGKUKLCAE-UHFFFAOYSA-N
Molecular Formula C7H9NO
15

2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium Bromide 98.0+%, TCI America™

CAS: 69891-92-5 Molecular Formula: C24H26BrO2P Molecular Weight (g/mol): 457.35 MDL Number: MFCD00012000 InChI Key: XETDBHNHTOJWPZ-UHFFFAOYSA-M Synonym: 2-1,3-dioxan-2-yl ethyltriphenylphosphonium bromide,2-1,3-dioxan-2-yl ethyl triphenylphosphonium bromide,2-1,3-dioxan-2-yl ethyl triphenylphosphanium bromide,acmc-209obj,xqaupnaycikwct-uhfffaoysa-m,1,3-dioxan-2-ylethyltriphenylphosphinebromide,2-1,3-dioxan-2-yl ethyltriphenylphosphonium bromi,2-1,3-dioxan-2-yl ethyltriphenylphosphoniumbromide,2-1,3-dioxane-2-yl ethyltriphenylphosphonium bromide PubChem CID: 2724168 IUPAC Name: [2-(1,3-dioxan-2-yl)ethyl]triphenylphosphanium bromide SMILES: [Br-].C(C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1OCCCO1

PubChem CID 2724168
CAS 69891-92-5
Molecular Weight (g/mol) 457.35
MDL Number MFCD00012000
SMILES [Br-].C(C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1OCCCO1
Synonym 2-1,3-dioxan-2-yl ethyltriphenylphosphonium bromide,2-1,3-dioxan-2-yl ethyl triphenylphosphonium bromide,2-1,3-dioxan-2-yl ethyl triphenylphosphanium bromide,acmc-209obj,xqaupnaycikwct-uhfffaoysa-m,1,3-dioxan-2-ylethyltriphenylphosphinebromide,2-1,3-dioxan-2-yl ethyltriphenylphosphonium bromi,2-1,3-dioxan-2-yl ethyltriphenylphosphoniumbromide,2-1,3-dioxane-2-yl ethyltriphenylphosphonium bromide
IUPAC Name [2-(1,3-dioxan-2-yl)ethyl]triphenylphosphanium bromide
InChI Key XETDBHNHTOJWPZ-UHFFFAOYSA-M
Molecular Formula C24H26BrO2P