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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 (100,075)
Phenols (19,612)
Naphthalenes (5,823)
Phenol esters (2,848)
Unsubstituted Phenols (1,313)
Fluorenes (1,263)
Thiophenols (658)
Anthracenes (499)
Indanes (411)
Phenanthrenes and derivatives (357)
Tetralins (336)
Triphenyl compounds (276)
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Dibenzocycloheptenes (61)
Naphthacenes (37)
Ellagic acids and derivatives (33)
Pentacenes (20)
Acenaphthylenes (16)
Pentacenequinones (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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6,466 – 6,480 of 120,644 results
6,466

Bisacodyl 98.0+%, TCI America™

CAS: 603-50-9 Molecular Formula: C22H19NO4 Molecular Weight (g/mol): 361.40 MDL Number: MFCD00038039 InChI Key: KHOITXIGCFIULA-UHFFFAOYSA-N Synonym: bisacodyl,dulcolax,bicol,brocalax,durolax,dulcolan,endokolat,fenilaxan,hillcolax,sanvacual PubChem CID: 2391 IUPAC Name: 4-{[4-(acetyloxy)phenyl](pyridin-2-yl)methyl}phenyl acetate SMILES: CC(=O)OC1=CC=C(C=C1)C(C1=CC=C(OC(C)=O)C=C1)C1=CC=CC=N1

PubChem CID 2391
CAS 603-50-9
Molecular Weight (g/mol) 361.40
MDL Number MFCD00038039
SMILES CC(=O)OC1=CC=C(C=C1)C(C1=CC=C(OC(C)=O)C=C1)C1=CC=CC=N1
Synonym bisacodyl,dulcolax,bicol,brocalax,durolax,dulcolan,endokolat,fenilaxan,hillcolax,sanvacual
IUPAC Name 4-{[4-(acetyloxy)phenyl](pyridin-2-yl)methyl}phenyl acetate
InChI Key KHOITXIGCFIULA-UHFFFAOYSA-N
Molecular Formula C22H19NO4
6,467

4,4'-Dimethylbenzhydrol 98.0+%, TCI America™

CAS: 885-77-8 Molecular Formula: C15H16O Molecular Weight (g/mol): 212.292 MDL Number: MFCD00017216 InChI Key: RGYZQSCFKFDECZ-UHFFFAOYSA-N Synonym: 4,4'-dimethylbenzhydrol,di-p-tolylmethanol,bis 4-methylphenyl methanol,benzenemethanol, 4-methyl-.alpha.-4-methylphenyl,benzhydrol, 4,4'-dimethyl,di p-tolyl methanol,4,4-dimethylbenzhydrol,4,4'-ditolyl carbinol,benzhydrol,4'-dimethyl PubChem CID: 279356 IUPAC Name: bis(4-methylphenyl)methanol SMILES: CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)O

PubChem CID 279356
CAS 885-77-8
Molecular Weight (g/mol) 212.292
MDL Number MFCD00017216
SMILES CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)O
Synonym 4,4'-dimethylbenzhydrol,di-p-tolylmethanol,bis 4-methylphenyl methanol,benzenemethanol, 4-methyl-.alpha.-4-methylphenyl,benzhydrol, 4,4'-dimethyl,di p-tolyl methanol,4,4-dimethylbenzhydrol,4,4'-ditolyl carbinol,benzhydrol,4'-dimethyl
IUPAC Name bis(4-methylphenyl)methanol
InChI Key RGYZQSCFKFDECZ-UHFFFAOYSA-N
Molecular Formula C15H16O
6,468

3-Amino-4-bromobenzotrifluoride 97.0+%, TCI America™

CAS: 454-79-5 Molecular Formula: C7H5BrF3N Molecular Weight (g/mol): 240.023 MDL Number: MFCD00007637 InChI Key: PZDVFXUBTKPFSG-UHFFFAOYSA-N Synonym: 2-bromo-5-trifluoromethyl aniline,3-amino-4-bromobenzotrifluoride,2-bromo-5-trifluoromethyl benzenamine,2-bromo-5-trifluoromethylphenylamine,2-amino-1-bromo-4-trifluoromethylbenzene,2-amino-4-trifluoromethylbromobenzene,6-bromo-alpha,alpha,alpha-trifluoro-m-toluidine,3-amino-4-bromo trifluoromethyl benzene,benzenamine, 2-bromo-5-trifluoromethyl,4-bromo-3-aminobenzotrifluoride PubChem CID: 67989 IUPAC Name: 2-bromo-5-(trifluoromethyl)aniline SMILES: C1=CC(=C(C=C1C(F)(F)F)N)Br

PubChem CID 67989
CAS 454-79-5
Molecular Weight (g/mol) 240.023
MDL Number MFCD00007637
SMILES C1=CC(=C(C=C1C(F)(F)F)N)Br
Synonym 2-bromo-5-trifluoromethyl aniline,3-amino-4-bromobenzotrifluoride,2-bromo-5-trifluoromethyl benzenamine,2-bromo-5-trifluoromethylphenylamine,2-amino-1-bromo-4-trifluoromethylbenzene,2-amino-4-trifluoromethylbromobenzene,6-bromo-alpha,alpha,alpha-trifluoro-m-toluidine,3-amino-4-bromo trifluoromethyl benzene,benzenamine, 2-bromo-5-trifluoromethyl,4-bromo-3-aminobenzotrifluoride
IUPAC Name 2-bromo-5-(trifluoromethyl)aniline
InChI Key PZDVFXUBTKPFSG-UHFFFAOYSA-N
Molecular Formula C7H5BrF3N
6,469

4-Hydroxy-3,5-dimethylbenzonitrile 95.0+%, TCI America™

CAS: 4198-90-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00221716 InChI Key: WFYGXOWFEIOHCZ-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-hydroxybenzonitrile,4-cyano-2,6-dimethylphenol,2,6-dimethyl-4-cyanophenol,4-hydroxy-3,5-dimethyl-benzonitrile,3,5-dimethyl-4-hydroxy benzonitrile,benzonitrile, 3,5-dimethyl-4-hydroxy,4-hydroxy-3,5-dimethylbenzenecarbonitrile,benzonitrile, 4-hydroxy-3,5-dimethyl,pubchem11065,acmc-209jmm PubChem CID: 20176 IUPAC Name: 4-hydroxy-3,5-dimethylbenzonitrile SMILES: CC1=CC(=CC(=C1O)C)C#N

PubChem CID 20176
CAS 4198-90-7
Molecular Weight (g/mol) 147.177
MDL Number MFCD00221716
SMILES CC1=CC(=CC(=C1O)C)C#N
Synonym 3,5-dimethyl-4-hydroxybenzonitrile,4-cyano-2,6-dimethylphenol,2,6-dimethyl-4-cyanophenol,4-hydroxy-3,5-dimethyl-benzonitrile,3,5-dimethyl-4-hydroxy benzonitrile,benzonitrile, 3,5-dimethyl-4-hydroxy,4-hydroxy-3,5-dimethylbenzenecarbonitrile,benzonitrile, 4-hydroxy-3,5-dimethyl,pubchem11065,acmc-209jmm
IUPAC Name 4-hydroxy-3,5-dimethylbenzonitrile
InChI Key WFYGXOWFEIOHCZ-UHFFFAOYSA-N
Molecular Formula C9H9NO
6,470

1,4-Dichloro-2-iodobenzene 98.0+%, TCI America™

CAS: 29682-41-5 Molecular Formula: C6H3Cl2I Molecular Weight (g/mol): 272.89 MDL Number: MFCD00001036 InChI Key: SBHVNORGKIPGCL-UHFFFAOYSA-N Synonym: 2,5-dichloroiodobenzene,benzene, 1,4-dichloro-2-iodo,1,4-dichloro-2-iodo-benzene,pubchem3694,2,5-dichlor-jodbenzol,2,5-dichloro-iodobenzene,acmc-1ckh5,2,5 dichloro 1-iodobenzol,2-iodo-1,4-dichlorobenzene,ksc494k7h PubChem CID: 122452 IUPAC Name: 1,4-dichloro-2-iodobenzene SMILES: ClC1=CC=C(Cl)C(I)=C1

PubChem CID 122452
CAS 29682-41-5
Molecular Weight (g/mol) 272.89
MDL Number MFCD00001036
SMILES ClC1=CC=C(Cl)C(I)=C1
Synonym 2,5-dichloroiodobenzene,benzene, 1,4-dichloro-2-iodo,1,4-dichloro-2-iodo-benzene,pubchem3694,2,5-dichlor-jodbenzol,2,5-dichloro-iodobenzene,acmc-1ckh5,2,5 dichloro 1-iodobenzol,2-iodo-1,4-dichlorobenzene,ksc494k7h
IUPAC Name 1,4-dichloro-2-iodobenzene
InChI Key SBHVNORGKIPGCL-UHFFFAOYSA-N
Molecular Formula C6H3Cl2I
6,471

Benzoyl Isothiocyanate 97.0+%, TCI America™

CAS: 532-55-8 Molecular Formula: C8H5NOS Molecular Weight (g/mol): 163.194 MDL Number: MFCD00004815 InChI Key: CPEKAXYCDKETEN-UHFFFAOYSA-N Synonym: benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone PubChem CID: 68284 IUPAC Name: benzoyl isothiocyanate SMILES: C1=CC=C(C=C1)C(=O)N=C=S

PubChem CID 68284
CAS 532-55-8
Molecular Weight (g/mol) 163.194
MDL Number MFCD00004815
SMILES C1=CC=C(C=C1)C(=O)N=C=S
Synonym benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone
IUPAC Name benzoyl isothiocyanate
InChI Key CPEKAXYCDKETEN-UHFFFAOYSA-N
Molecular Formula C8H5NOS
6,472

2-Chloro-3,5-dinitrobenzotrifluoride 99.0+%, TCI America™

CAS: 392-95-0 Molecular Formula: C7H2ClF3N2O4 Molecular Weight (g/mol): 270.55 MDL Number: MFCD00007076 InChI Key: RLXKADBMLQPLDV-UHFFFAOYSA-N Synonym: 2-chloro-3,5-dinitrobenzotrifluoride,2-chloro-1,5-dinitro-3-trifluoromethyl benzene,benzene, 2-chloro-1,5-dinitro-3-trifluoromethyl,2-chloro-3,5-binitrotrifluorotoluene,pubchem4846,2-chlor-1,5-dinitro-3-trifluormethyl benzol,ksc914e2d,labotest-bb lt00159813,labotest-bb lt03380099,2-chloro-3,5-dinitro-benzotrifluoride PubChem CID: 67851 IUPAC Name: 2-chloro-1,5-dinitro-3-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC(=C(Cl)C(=C1)C(F)(F)F)[N+]([O-])=O

PubChem CID 67851
CAS 392-95-0
Molecular Weight (g/mol) 270.55
MDL Number MFCD00007076
SMILES [O-][N+](=O)C1=CC(=C(Cl)C(=C1)C(F)(F)F)[N+]([O-])=O
Synonym 2-chloro-3,5-dinitrobenzotrifluoride,2-chloro-1,5-dinitro-3-trifluoromethyl benzene,benzene, 2-chloro-1,5-dinitro-3-trifluoromethyl,2-chloro-3,5-binitrotrifluorotoluene,pubchem4846,2-chlor-1,5-dinitro-3-trifluormethyl benzol,ksc914e2d,labotest-bb lt00159813,labotest-bb lt03380099,2-chloro-3,5-dinitro-benzotrifluoride
IUPAC Name 2-chloro-1,5-dinitro-3-(trifluoromethyl)benzene
InChI Key RLXKADBMLQPLDV-UHFFFAOYSA-N
Molecular Formula C7H2ClF3N2O4
6,473

3,5-Dichlorophenylhydrazine Hydrochloride 90.0+%, TCI America™

CAS: 63352-99-8 Molecular Formula: C6H7Cl3N2 Molecular Weight (g/mol): 213.486 MDL Number: MFCD00012938 InChI Key: BDXZOJVMTJOAPS-UHFFFAOYSA-N Synonym: 3,5-dichlorophenylhydrazine hydrochloride,3,5-dichlorophenyl hydrazine hydrochloride,3,5-dichlorophenyl hydrazine monohydrochloride,3,5-dichlorophenylhydrazine hcl,1-3,5-dichlorophenyl hydrazine hydrochloride,hydrazine, 3,5-dichlorophenyl-, monohydrochloride,3,5-dichlorophenylhydrazinehydrochloride,pubchem7531,c6h6cl2n2.hcl,acmc-209nf3 PubChem CID: 2723913 IUPAC Name: (3,5-dichlorophenyl)hydrazine;hydrochloride SMILES: C1=C(C=C(C=C1Cl)Cl)NN.Cl

PubChem CID 2723913
CAS 63352-99-8
Molecular Weight (g/mol) 213.486
MDL Number MFCD00012938
SMILES C1=C(C=C(C=C1Cl)Cl)NN.Cl
Synonym 3,5-dichlorophenylhydrazine hydrochloride,3,5-dichlorophenyl hydrazine hydrochloride,3,5-dichlorophenyl hydrazine monohydrochloride,3,5-dichlorophenylhydrazine hcl,1-3,5-dichlorophenyl hydrazine hydrochloride,hydrazine, 3,5-dichlorophenyl-, monohydrochloride,3,5-dichlorophenylhydrazinehydrochloride,pubchem7531,c6h6cl2n2.hcl,acmc-209nf3
IUPAC Name (3,5-dichlorophenyl)hydrazine;hydrochloride
InChI Key BDXZOJVMTJOAPS-UHFFFAOYSA-N
Molecular Formula C6H7Cl3N2
6,474

Pentaethylene Glycol Monobenzyl Ether 95.0+%, TCI America™

CAS: 57671-28-0 Molecular Formula: C17H28O6 Molecular Weight (g/mol): 328.405 MDL Number: MFCD06797154 InChI Key: UMUSOTNGYAALST-UHFFFAOYSA-N Synonym: 2-[2-[2-[2-[2-(Benzyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol PubChem CID: 13553692 IUPAC Name: 2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol SMILES: C1=CC=C(C=C1)COCCOCCOCCOCCOCCO

PubChem CID 13553692
CAS 57671-28-0
Molecular Weight (g/mol) 328.405
MDL Number MFCD06797154
SMILES C1=CC=C(C=C1)COCCOCCOCCOCCOCCO
Synonym 2-[2-[2-[2-[2-(Benzyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
IUPAC Name 2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
InChI Key UMUSOTNGYAALST-UHFFFAOYSA-N
Molecular Formula C17H28O6
6,475

9,9-Bis(4-aminophenyl)fluorene 98.0+%, TCI America™

CAS: 15499-84-0 Molecular Formula: C25H20N2 Molecular Weight (g/mol): 348.449 MDL Number: MFCD00039156 InChI Key: KIFDSGGWDIVQGN-UHFFFAOYSA-N PubChem CID: 631552 IUPAC Name: 4-[9-(4-aminophenyl)fluoren-9-yl]aniline SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)N)C5=CC=C(C=C5)N

PubChem CID 631552
CAS 15499-84-0
Molecular Weight (g/mol) 348.449
MDL Number MFCD00039156
SMILES C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)N)C5=CC=C(C=C5)N
IUPAC Name 4-[9-(4-aminophenyl)fluoren-9-yl]aniline
InChI Key KIFDSGGWDIVQGN-UHFFFAOYSA-N
Molecular Formula C25H20N2
6,476

4-Butylresorcinol 98.0+%, TCI America™

CAS: 18979-61-8 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD01684800 InChI Key: CSHZYWUPJWVTMQ-UHFFFAOYSA-N PubChem CID: 205912 ChEBI: CHEBI:81689 IUPAC Name: 4-butylbenzene-1,3-diol SMILES: CCCCC1=CC=C(O)C=C1O

PubChem CID 205912
CAS 18979-61-8
Molecular Weight (g/mol) 166.22
ChEBI CHEBI:81689
MDL Number MFCD01684800
SMILES CCCCC1=CC=C(O)C=C1O
IUPAC Name 4-butylbenzene-1,3-diol
InChI Key CSHZYWUPJWVTMQ-UHFFFAOYSA-N
Molecular Formula C10H14O2
6,477

2-Fluoro-4-methylbenzonitrile 98.0+%, TCI America™

CAS: 85070-67-3 Molecular Formula: C8H6FN Molecular Weight (g/mol): 135.14 MDL Number: MFCD03094311 InChI Key: WCGNLBCJPBKXCN-UHFFFAOYSA-N Synonym: 4-cyano-3-fluorotoluene,2-fluoro-4-methylbenzenecarbonitrile,2-fluoro-4-methyl-benzonitrile,benzonitrile, 2-fluoro-4-methyl,pubchem1555,2-fluoro-p-tolunitrile,acmc-209q3w,ksc494e6d,4-methyl-2-fluorobenzonitrile,pharmabridge p-1079 PubChem CID: 2778443 IUPAC Name: 2-fluoro-4-methylbenzonitrile SMILES: CC1=CC=C(C#N)C(F)=C1

PubChem CID 2778443
CAS 85070-67-3
Molecular Weight (g/mol) 135.14
MDL Number MFCD03094311
SMILES CC1=CC=C(C#N)C(F)=C1
Synonym 4-cyano-3-fluorotoluene,2-fluoro-4-methylbenzenecarbonitrile,2-fluoro-4-methyl-benzonitrile,benzonitrile, 2-fluoro-4-methyl,pubchem1555,2-fluoro-p-tolunitrile,acmc-209q3w,ksc494e6d,4-methyl-2-fluorobenzonitrile,pharmabridge p-1079
IUPAC Name 2-fluoro-4-methylbenzonitrile
InChI Key WCGNLBCJPBKXCN-UHFFFAOYSA-N
Molecular Formula C8H6FN
6,478

2,4-Dibromoaniline 98.0+%, TCI America™

CAS: 615-57-6 Molecular Formula: C6H5Br2N Molecular Weight (g/mol): 250.921 MDL Number: MFCD00007633 InChI Key: DYSRXWYRUJCNFI-UHFFFAOYSA-N Synonym: benzenamine, 2,4-dibromo,2,4-dibromobenzenamine,2,4-dibromo-phenylamine,dibromobenzenamine,2,4-dibromanilin,pubchem3447,2,4-dibromophenylamine,benzenamine,4-dibromo,2,4-bis bromanyl aniline,acmc-209mu0 PubChem CID: 12004 IUPAC Name: 2,4-dibromoaniline SMILES: C1=CC(=C(C=C1Br)Br)N

PubChem CID 12004
CAS 615-57-6
Molecular Weight (g/mol) 250.921
MDL Number MFCD00007633
SMILES C1=CC(=C(C=C1Br)Br)N
Synonym benzenamine, 2,4-dibromo,2,4-dibromobenzenamine,2,4-dibromo-phenylamine,dibromobenzenamine,2,4-dibromanilin,pubchem3447,2,4-dibromophenylamine,benzenamine,4-dibromo,2,4-bis bromanyl aniline,acmc-209mu0
IUPAC Name 2,4-dibromoaniline
InChI Key DYSRXWYRUJCNFI-UHFFFAOYSA-N
Molecular Formula C6H5Br2N
6,479

3-Aminobenzylamine 98.0+%, TCI America™

CAS: 4403-70-7 Molecular Formula: C7H10N2 Molecular Weight (g/mol): 122.17 MDL Number: MFCD00078355 InChI Key: ZDBWYUOUYNQZBM-UHFFFAOYSA-N Synonym: 3-aminobenzylamine,3-aminomethyl aniline,m-aminobenzylamine,benzenemethanamine, 3-amino,3-aminomethyl-aniline,pubchem5802,alpha-amino-m-toluidine,3-aminomethyl phenylamine,3-aminophenyl methylamine PubChem CID: 4628831 IUPAC Name: 3-(aminomethyl)aniline SMILES: NCC1=CC(N)=CC=C1

PubChem CID 4628831
CAS 4403-70-7
Molecular Weight (g/mol) 122.17
MDL Number MFCD00078355
SMILES NCC1=CC(N)=CC=C1
Synonym 3-aminobenzylamine,3-aminomethyl aniline,m-aminobenzylamine,benzenemethanamine, 3-amino,3-aminomethyl-aniline,pubchem5802,alpha-amino-m-toluidine,3-aminomethyl phenylamine,3-aminophenyl methylamine
IUPAC Name 3-(aminomethyl)aniline
InChI Key ZDBWYUOUYNQZBM-UHFFFAOYSA-N
Molecular Formula C7H10N2
6,480

Dimethyl 5-Hydroxyisophthalate 98.0+%, TCI America™

CAS: 13036-02-7 Molecular Formula: C10H10O5 Molecular Weight (g/mol): 210.19 MDL Number: MFCD00134367 InChI Key: DOSDTCPDBPRFHQ-UHFFFAOYSA-N PubChem CID: 83065 IUPAC Name: 1,3-dimethyl 5-hydroxybenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(O)=C1)C(=O)OC

PubChem CID 83065
CAS 13036-02-7
Molecular Weight (g/mol) 210.19
MDL Number MFCD00134367
SMILES COC(=O)C1=CC(=CC(O)=C1)C(=O)OC
IUPAC Name 1,3-dimethyl 5-hydroxybenzene-1,3-dicarboxylate
InChI Key DOSDTCPDBPRFHQ-UHFFFAOYSA-N
Molecular Formula C10H10O5