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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 (90,947)
Phenols (18,172)
Naphthalenes (5,638)
Phenol esters (2,084)
Fluorenes (1,273)
Unsubstituted Phenols (1,254)
Thiophenols (625)
Anthracenes (488)
Indanes (403)
Phenanthrenes and derivatives (362)
Tetralins (339)
Triphenyl compounds (278)
Pyrenes (275)
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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10,171 – 10,185 of 109,034 results
10,171

2-Methylbenzotrifluoride 98.0+%, TCI America™

CAS: 13630-19-8 Molecular Formula: C8H7F3 Molecular Weight (g/mol): 160.14 MDL Number: MFCD00153204 InChI Key: DVFVNJHIVAPTMS-UHFFFAOYSA-N Synonym: 2-methylbenzotrifluoride,1-methyl-2-trifluoromethyl benzene,2-trifluoromethyl toluene,1-methyl-2-trifluoromethyl-benzene,alpha,alpha,alpha-trifluoro-o-xylene,benzene, methyl trifluoromethyl,benzene, 1-methyl-2-trifluoromethyl,2-methyl-1-trifluoromethyl benzene,trifluoromethyltoluene,pubchem1657 PubChem CID: 2775324 IUPAC Name: 1-methyl-2-(trifluoromethyl)benzene SMILES: CC1=CC=CC=C1C(F)(F)F

PubChem CID 2775324
CAS 13630-19-8
Molecular Weight (g/mol) 160.14
MDL Number MFCD00153204
SMILES CC1=CC=CC=C1C(F)(F)F
Synonym 2-methylbenzotrifluoride,1-methyl-2-trifluoromethyl benzene,2-trifluoromethyl toluene,1-methyl-2-trifluoromethyl-benzene,alpha,alpha,alpha-trifluoro-o-xylene,benzene, methyl trifluoromethyl,benzene, 1-methyl-2-trifluoromethyl,2-methyl-1-trifluoromethyl benzene,trifluoromethyltoluene,pubchem1657
IUPAC Name 1-methyl-2-(trifluoromethyl)benzene
InChI Key DVFVNJHIVAPTMS-UHFFFAOYSA-N
Molecular Formula C8H7F3
10,172

2,5-Dibromohydroquinone 98.0+%, TCI America™

CAS: 14753-51-6 Molecular Formula: C6H4Br2O2 Molecular Weight (g/mol): 267.904 MDL Number: MFCD00192664 InChI Key: VALXCIRMSIFPFN-UHFFFAOYSA-N PubChem CID: 280945 IUPAC Name: 2,5-dibromobenzene-1,4-diol SMILES: C1=C(C(=CC(=C1Br)O)Br)O

PubChem CID 280945
CAS 14753-51-6
Molecular Weight (g/mol) 267.904
MDL Number MFCD00192664
SMILES C1=C(C(=CC(=C1Br)O)Br)O
IUPAC Name 2,5-dibromobenzene-1,4-diol
InChI Key VALXCIRMSIFPFN-UHFFFAOYSA-N
Molecular Formula C6H4Br2O2
10,173

4,4″-Dinitro-p-terphenyl 97.0+%, TCI America™

CAS: 3282-11-9 Molecular Formula: C18H12N2O4 Molecular Weight (g/mol): 320.30 MDL Number: MFCD00051743 InChI Key: MHOAYDHUNGLDTB-UHFFFAOYSA-N Synonym: 4,4-dinitro-p-terphenyl,p-terphenyl, 4,4-dinitro,4,4-dinitro-1,1',4',1 terphenyl,1,4-bis 4-nitrophenyl benzene,p,p-dinitro-p-terphenyl,4,4-dinitro-para-terphenyl,4,4-dinitro-1,1',4',1-terphenyl,4,4-dinitro-1,1':4',1-terphenyl,1-nitro-4-4-4-nitrophenyl phenyl benzene,4,4-dinitro-1,1':4',1-terbenzene PubChem CID: 101423 IUPAC Name: 1,4-bis(4-nitrophenyl)benzene SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

PubChem CID 101423
CAS 3282-11-9
Molecular Weight (g/mol) 320.30
MDL Number MFCD00051743
SMILES C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]
Synonym 4,4-dinitro-p-terphenyl,p-terphenyl, 4,4-dinitro,4,4-dinitro-1,1',4',1 terphenyl,1,4-bis 4-nitrophenyl benzene,p,p-dinitro-p-terphenyl,4,4-dinitro-para-terphenyl,4,4-dinitro-1,1',4',1-terphenyl,4,4-dinitro-1,1':4',1-terphenyl,1-nitro-4-4-4-nitrophenyl phenyl benzene,4,4-dinitro-1,1':4',1-terbenzene
IUPAC Name 1,4-bis(4-nitrophenyl)benzene
InChI Key MHOAYDHUNGLDTB-UHFFFAOYSA-N
Molecular Formula C18H12N2O4
10,174

Phenylacetic Hydrazide 98.0+%, TCI America™

CAS: 937-39-3 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.181 MDL Number: MFCD00007612 InChI Key: FPTCVTJCJMVIDV-UHFFFAOYSA-N Synonym: phenylacetic acid hydrazide,benzeneacetic acid, hydrazide,phenylacetic hydrazide,phenylacetylhydrazine,phenylacetyl hydrazide,phenacetic acid hydrazide,2-phenylacetyl hydrazine,phenylacetohydrazide,phenylacethydrazide,phenyl-acetic acid hydrazide PubChem CID: 70301 IUPAC Name: 2-phenylacetohydrazide SMILES: C1=CC=C(C=C1)CC(=O)NN

PubChem CID 70301
CAS 937-39-3
Molecular Weight (g/mol) 150.181
MDL Number MFCD00007612
SMILES C1=CC=C(C=C1)CC(=O)NN
Synonym phenylacetic acid hydrazide,benzeneacetic acid, hydrazide,phenylacetic hydrazide,phenylacetylhydrazine,phenylacetyl hydrazide,phenacetic acid hydrazide,2-phenylacetyl hydrazine,phenylacetohydrazide,phenylacethydrazide,phenyl-acetic acid hydrazide
IUPAC Name 2-phenylacetohydrazide
InChI Key FPTCVTJCJMVIDV-UHFFFAOYSA-N
Molecular Formula C8H10N2O
10,175

4-(4-Hydroxyphenyl)thiomorpholine 1,1-Dioxide 98.0+%, TCI America™

CAS: 103661-13-8 Molecular Formula: C10H13NO3S Molecular Weight (g/mol): 227.28 MDL Number: MFCD06797109 InChI Key: NSHOLIWPDBJMPT-UHFFFAOYSA-N Synonym: 4-(1,1-Dioxothiomorpholino)phenol, 4-Thiomorpholinophenol 1′C,1′C-Dioxide PubChem CID: 21845223 IUPAC Name: 4-(4-hydroxyphenyl)-1λ⁶-thiomorpholine-1,1-dione SMILES: OC1=CC=C(C=C1)N1CCS(=O)(=O)CC1

PubChem CID 21845223
CAS 103661-13-8
Molecular Weight (g/mol) 227.28
MDL Number MFCD06797109
SMILES OC1=CC=C(C=C1)N1CCS(=O)(=O)CC1
Synonym 4-(1,1-Dioxothiomorpholino)phenol, 4-Thiomorpholinophenol 1′C,1′C-Dioxide
IUPAC Name 4-(4-hydroxyphenyl)-1λ⁶-thiomorpholine-1,1-dione
InChI Key NSHOLIWPDBJMPT-UHFFFAOYSA-N
Molecular Formula C10H13NO3S
10,176

4-Bromo-2-chlorobenzotrifluoride 98.0+%, TCI America™

CAS: 467435-07-0 Molecular Formula: C7H3BrClF3 Molecular Weight (g/mol): 259.45 MDL Number: MFCD08459292 InChI Key: FJANWAMBKVZTRG-UHFFFAOYSA-N Synonym: 4-Bromo-2-chloro-1-(trifluoromethyl)benzene, 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene PubChem CID: 20269848 IUPAC Name: 4-bromo-2-chloro-1-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=C(Cl)C=C(Br)C=C1

PubChem CID 20269848
CAS 467435-07-0
Molecular Weight (g/mol) 259.45
MDL Number MFCD08459292
SMILES FC(F)(F)C1=C(Cl)C=C(Br)C=C1
Synonym 4-Bromo-2-chloro-1-(trifluoromethyl)benzene, 4-Bromo-2-chloro-alpha,alpha,alpha-trifluorotoluene
IUPAC Name 4-bromo-2-chloro-1-(trifluoromethyl)benzene
InChI Key FJANWAMBKVZTRG-UHFFFAOYSA-N
Molecular Formula C7H3BrClF3
10,177

2-Chloro-5-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 2782670
CAS 182344-18-9
Molecular Weight (g/mol) 224.37
MDL Number MFCD00797335
Color White
Physical Form Crystalline Powder
SMILES B(C1=C(C=CC(=C1)C(F)(F)F)Cl)(O)O
TSCA No
IUPAC Name [2-chloro-5-(trifluoromethyl)phenyl]boronic acid
InChI Key YVMXEHZEYONARR-UHFFFAOYSA-N
Molecular Formula C7H5BClF3O2
Formula Weight 224.37
Melting Point 108°C
10,178

4-tert-Butoxyphenol 98.0+%, TCI America™

CAS: 2460-87-9 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD02183556 InChI Key: CIICLJLSRUHUBY-UHFFFAOYSA-N Synonym: 4-tert-butoxy phenol,4-tert-butoxyphenol,p-tert-butoxyphenol,4-t-butoxyphenol,phenol, 4-1,1-dimethylethoxy,unii-4w56a32ou8,4-2-methylpropan-2-yl oxy phenol,phenol, p-tert-butoxy,4-tert-butoxy-phenol,acmc-209gdf PubChem CID: 2773621 IUPAC Name: 4-[(2-methylpropan-2-yl)oxy]phenol SMILES: CC(C)(C)OC1=CC=C(C=C1)O

PubChem CID 2773621
CAS 2460-87-9
Molecular Weight (g/mol) 166.22
MDL Number MFCD02183556
SMILES CC(C)(C)OC1=CC=C(C=C1)O
Synonym 4-tert-butoxy phenol,4-tert-butoxyphenol,p-tert-butoxyphenol,4-t-butoxyphenol,phenol, 4-1,1-dimethylethoxy,unii-4w56a32ou8,4-2-methylpropan-2-yl oxy phenol,phenol, p-tert-butoxy,4-tert-butoxy-phenol,acmc-209gdf
IUPAC Name 4-[(2-methylpropan-2-yl)oxy]phenol
InChI Key CIICLJLSRUHUBY-UHFFFAOYSA-N
Molecular Formula C10H14O2
10,179

3-Acetoxy-2-methylbenzoic Acid 98.0+%, TCI America™

CAS: 168899-58-9 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00957176 InChI Key: LHVJUPHCLWIPLZ-UHFFFAOYSA-N Synonym: 3-acetoxy-2-methylbenzoic acid,2-methyl-3-acetoxybenzoic acid,3-acetoxy-2-methyl benzoic acid,3-acetyloxy-2-methylbenzoic acid,benzoic acid, 3-acetyloxy-2-methyl,3-acetoxy-2-methyl-benzoic acid,acmc-209dz2,ksc495o2n,3-acetyloxy-2-methyl-benzoic acid PubChem CID: 3798557 IUPAC Name: 3-acetyloxy-2-methylbenzoic acid SMILES: CC1=C(C=CC=C1OC(=O)C)C(=O)O

PubChem CID 3798557
CAS 168899-58-9
Molecular Weight (g/mol) 194.186
MDL Number MFCD00957176
SMILES CC1=C(C=CC=C1OC(=O)C)C(=O)O
Synonym 3-acetoxy-2-methylbenzoic acid,2-methyl-3-acetoxybenzoic acid,3-acetoxy-2-methyl benzoic acid,3-acetyloxy-2-methylbenzoic acid,benzoic acid, 3-acetyloxy-2-methyl,3-acetoxy-2-methyl-benzoic acid,acmc-209dz2,ksc495o2n,3-acetyloxy-2-methyl-benzoic acid
IUPAC Name 3-acetyloxy-2-methylbenzoic acid
InChI Key LHVJUPHCLWIPLZ-UHFFFAOYSA-N
Molecular Formula C10H10O4
10,180

4-Hexyloxyphenol 98.0+%, TCI America™

CAS: 18979-55-0 Molecular Formula: C12H18O2 Molecular Weight (g/mol): 194.27 MDL Number: MFCD00002337 InChI Key: XIIIHRLCKLSYNH-UHFFFAOYSA-N Synonym: 4-hexyloxyphenol,4-hexyloxy phenol,phenol, 4-hexyloxy,4-n-hexyloxyphenol,p-hexyloxyphenol,unii-35ims9l1fe,35ims9l1fe,pubchem13208,acmc-1c6hg,hydroquinone monohexyl ether PubChem CID: 29354 ChEBI: CHEBI:34407 IUPAC Name: 4-(hexyloxy)phenol SMILES: CCCCCCOC1=CC=C(O)C=C1

PubChem CID 29354
CAS 18979-55-0
Molecular Weight (g/mol) 194.27
ChEBI CHEBI:34407
MDL Number MFCD00002337
SMILES CCCCCCOC1=CC=C(O)C=C1
Synonym 4-hexyloxyphenol,4-hexyloxy phenol,phenol, 4-hexyloxy,4-n-hexyloxyphenol,p-hexyloxyphenol,unii-35ims9l1fe,35ims9l1fe,pubchem13208,acmc-1c6hg,hydroquinone monohexyl ether
IUPAC Name 4-(hexyloxy)phenol
InChI Key XIIIHRLCKLSYNH-UHFFFAOYSA-N
Molecular Formula C12H18O2
10,181

4-Ethylbenzyl Alcohol 98.0+%, TCI America™

CAS: 768-59-2 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00004666 InChI Key: YSLBFFIVJGJBSA-UHFFFAOYSA-N PubChem CID: 13034 IUPAC Name: (4-ethylphenyl)methanol SMILES: CCC1=CC=C(C=C1)CO

PubChem CID 13034
CAS 768-59-2
Molecular Weight (g/mol) 136.194
MDL Number MFCD00004666
SMILES CCC1=CC=C(C=C1)CO
IUPAC Name (4-ethylphenyl)methanol
InChI Key YSLBFFIVJGJBSA-UHFFFAOYSA-N
Molecular Formula C9H12O
10,182

1,2-Diacetoxybenzene 98.0+%, TCI America™

CAS: 635-67-6 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00017219 InChI Key: FBSAITBEAPNWJG-UHFFFAOYSA-N Synonym: Catechol Diacetate PubChem CID: 12479 IUPAC Name: 2-(acetyloxy)phenyl acetate SMILES: CC(=O)OC1=CC=CC=C1OC(C)=O

PubChem CID 12479
CAS 635-67-6
Molecular Weight (g/mol) 194.19
MDL Number MFCD00017219
SMILES CC(=O)OC1=CC=CC=C1OC(C)=O
Synonym Catechol Diacetate
IUPAC Name 2-(acetyloxy)phenyl acetate
InChI Key FBSAITBEAPNWJG-UHFFFAOYSA-N
Molecular Formula C10H10O4
10,183

Cyclobenzaprine Hydrochloride 98.0+%, TCI America™

CAS: 6202-23-9 Molecular Formula: C20H22ClN Molecular Weight (g/mol): 311.85 MDL Number: MFCD00079039 InChI Key: VXEAYBOGHINOKW-UHFFFAOYSA-N Synonym: 5-(3-Dimethylaminopropylidene)dibenzo[a,e]cycloheptatriene Hydrochloride PubChem CID: 22576 ChEBI: CHEBI:3997 IUPAC Name: hydrogen dimethyl(3-{tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ylidene}propyl)amine chloride SMILES: [H+].[Cl-].CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12

PubChem CID 22576
CAS 6202-23-9
Molecular Weight (g/mol) 311.85
ChEBI CHEBI:3997
MDL Number MFCD00079039
SMILES [H+].[Cl-].CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12
Synonym 5-(3-Dimethylaminopropylidene)dibenzo[a,e]cycloheptatriene Hydrochloride
IUPAC Name hydrogen dimethyl(3-{tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ylidene}propyl)amine chloride
InChI Key VXEAYBOGHINOKW-UHFFFAOYSA-N
Molecular Formula C20H22ClN
10,184

4-Trifluoromethylbenzoic Anhydride 97.0+%, TCI America™

CAS: 25753-16-6 Molecular Formula: C16H8F6O3 Molecular Weight (g/mol): 362.227 MDL Number: MFCD00671577 InChI Key: FNAWJOBKLWLHTA-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzoic anhydride,tfba,4-trifluoromethylbenzoic anhydride,4-trifluoromethyl benzoyl 4-trifluoromethyl benzoate,benzoic acid,4-trifluoromethyl-, anhydride with 4-trifluoromethyl benzoic acid,acmc-1cg53,p-trifluoromethylbenzoic acid anhydride,bis 4-trifluoromethylbenzoic acid anhydride,benzoic acid, 4-trifluoromethyl-, anhydride PubChem CID: 2760733 IUPAC Name: [4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate SMILES: C1=CC(=CC=C1C(=O)OC(=O)C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F

PubChem CID 2760733
CAS 25753-16-6
Molecular Weight (g/mol) 362.227
MDL Number MFCD00671577
SMILES C1=CC(=CC=C1C(=O)OC(=O)C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F
Synonym 4-trifluoromethyl benzoic anhydride,tfba,4-trifluoromethylbenzoic anhydride,4-trifluoromethyl benzoyl 4-trifluoromethyl benzoate,benzoic acid,4-trifluoromethyl-, anhydride with 4-trifluoromethyl benzoic acid,acmc-1cg53,p-trifluoromethylbenzoic acid anhydride,bis 4-trifluoromethylbenzoic acid anhydride,benzoic acid, 4-trifluoromethyl-, anhydride
IUPAC Name [4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate
InChI Key FNAWJOBKLWLHTA-UHFFFAOYSA-N
Molecular Formula C16H8F6O3
10,185

3,5-Bis(trifluoromethyl)phenylacetonitrile 98.0+%, TCI America™

CAS: 85068-32-2 Molecular Formula: C10H5F6N Molecular Weight (g/mol): 253.15 MDL Number: MFCD00009904 InChI Key: YXGWYBUKRTYHJM-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylacetonitrile,2-3,5-bis trifluoromethyl phenyl acetonitrile,3,5-bis trifluoromethyl benzyl cyanide,3,5-di trifluoromethyl benzyl cyanide,3,5-bis trifluoromethyl-phenylacetonitrile,3,5-bis trifluoromethyl phenyl acetonitrile,benzeneacetonitrile, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzylcyanide PubChem CID: 603657 IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile SMILES: FC(F)(F)C1=CC(=CC(CC#N)=C1)C(F)(F)F

PubChem CID 603657
CAS 85068-32-2
Molecular Weight (g/mol) 253.15
MDL Number MFCD00009904
SMILES FC(F)(F)C1=CC(=CC(CC#N)=C1)C(F)(F)F
Synonym 3,5-bis trifluoromethyl phenylacetonitrile,2-3,5-bis trifluoromethyl phenyl acetonitrile,3,5-bis trifluoromethyl benzyl cyanide,3,5-di trifluoromethyl benzyl cyanide,3,5-bis trifluoromethyl-phenylacetonitrile,3,5-bis trifluoromethyl phenyl acetonitrile,benzeneacetonitrile, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzylcyanide
IUPAC Name 2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile
InChI Key YXGWYBUKRTYHJM-UHFFFAOYSA-N
Molecular Formula C10H5F6N