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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 (67,704)
Phenols (13,502)
Naphthalenes (5,073)
Fluorenes (1,235)
Unsubstituted Phenols (1,165)
Thiophenols (617)
Phenol esters (564)
Anthracenes (413)
Phenanthrenes and derivatives (327)
Tetralins (327)
Indanes (313)
Triphenyl compounds (278)
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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3,391 – 3,405 of 78,615 results
3,391

4-Ethylbenzyl alcohol, 99%

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
3,392

[2-(2-Furyl)phenyl]methanol, ≥97%, Thermo Scientific™

CAS: 139697-88-4 Molecular Formula: C11H10O2 Molecular Weight (g/mol): 174.20 MDL Number: MFCD06203101 InChI Key: NBLMKRIYULDNBF-UHFFFAOYSA-N Synonym: 2-2-furyl phenyl methanol,2-furan-2-yl phenyl methanol,2-fur-2-yl benzyl alcohol,2-2-furyl benzenemethanol,2-fur-2-yl phenyl methanol,benzenemethanol,2-2-furanyl,2-2-furyl phenyl methan-1-ol PubChem CID: 10855985 IUPAC Name: [2-(furan-2-yl)phenyl]methanol SMILES: OCC1=CC=CC=C1C1=CC=CO1

PubChem CID 10855985
CAS 139697-88-4
Molecular Weight (g/mol) 174.20
MDL Number MFCD06203101
SMILES OCC1=CC=CC=C1C1=CC=CO1
Synonym 2-2-furyl phenyl methanol,2-furan-2-yl phenyl methanol,2-fur-2-yl benzyl alcohol,2-2-furyl benzenemethanol,2-fur-2-yl phenyl methanol,benzenemethanol,2-2-furanyl,2-2-furyl phenyl methan-1-ol
IUPAC Name [2-(furan-2-yl)phenyl]methanol
InChI Key NBLMKRIYULDNBF-UHFFFAOYSA-N
Molecular Formula C11H10O2
3,393

2-Iodo-1,3,5-trimethylbenzene, 98%

CAS: 4028-63-1 Molecular Formula: C9H11I Molecular Weight (g/mol): 246.091 MDL Number: MFCD00013707 InChI Key: GTPNXFKONRIHRW-UHFFFAOYSA-N Synonym: 2,4,6-trimethyliodobenzene,2-iodomesitylene,mesityl iodide,benzene, 2-iodo-1,3,5-trimethyl,iodo-2,4,6-trimethylbenzene,2,4,6-trimethyliodobenzene 2-iodomesitylene,iodomesitylene,jodmesitylen,mesityliodine,pubchem12601 PubChem CID: 77647 IUPAC Name: 2-iodo-1,3,5-trimethylbenzene SMILES: CC1=CC(=C(C(=C1)C)I)C

PubChem CID 77647
CAS 4028-63-1
Molecular Weight (g/mol) 246.091
MDL Number MFCD00013707
SMILES CC1=CC(=C(C(=C1)C)I)C
Synonym 2,4,6-trimethyliodobenzene,2-iodomesitylene,mesityl iodide,benzene, 2-iodo-1,3,5-trimethyl,iodo-2,4,6-trimethylbenzene,2,4,6-trimethyliodobenzene 2-iodomesitylene,iodomesitylene,jodmesitylen,mesityliodine,pubchem12601
IUPAC Name 2-iodo-1,3,5-trimethylbenzene
InChI Key GTPNXFKONRIHRW-UHFFFAOYSA-N
Molecular Formula C9H11I
3,394

1,2-Dibromotetrafluorobenzene, 99%

CAS: 827-08-7 Molecular Formula: C6Br2F4 Molecular Weight (g/mol): 307.88 MDL Number: MFCD00039209 InChI Key: IPLUWQPTPKNBRD-UHFFFAOYSA-N Synonym: 1,2-dibromotetrafluorobenzene,3,4,5,6-tetrafluoro-1,2-dibromobenzene,tetrafluoro-1,2-dibromobenzene,benzene, 1,2-dibromotetrafluoro,benzene, 1,2-dibromo-3,4,5,6-tetrafluoro,1,2-dibromoperfluorobenzene,dtfb,pubchem2195,dibromotetrafluorobenzene,acmc-20ap6i PubChem CID: 70007 IUPAC Name: 1,2-dibromo-3,4,5,6-tetrafluorobenzene SMILES: C1(=C(C(=C(C(=C1F)Br)Br)F)F)F

PubChem CID 70007
CAS 827-08-7
Molecular Weight (g/mol) 307.88
MDL Number MFCD00039209
SMILES C1(=C(C(=C(C(=C1F)Br)Br)F)F)F
Synonym 1,2-dibromotetrafluorobenzene,3,4,5,6-tetrafluoro-1,2-dibromobenzene,tetrafluoro-1,2-dibromobenzene,benzene, 1,2-dibromotetrafluoro,benzene, 1,2-dibromo-3,4,5,6-tetrafluoro,1,2-dibromoperfluorobenzene,dtfb,pubchem2195,dibromotetrafluorobenzene,acmc-20ap6i
IUPAC Name 1,2-dibromo-3,4,5,6-tetrafluorobenzene
InChI Key IPLUWQPTPKNBRD-UHFFFAOYSA-N
Molecular Formula C6Br2F4
3,395

1-Iodo-2,4-dinitrobenzene, 98%

CAS: 709-49-9 Molecular Formula: C6H3IN2O4 Molecular Weight (g/mol): 294.004 MDL Number: MFCD00039738 InChI Key: FXMKXMJLXRTQSW-UHFFFAOYSA-N Synonym: 2,4-dinitroiodobenzene,benzene, 1-iodo-2,4-dinitro,unii-not697x2xm,ccris 7907,4-iodo-1,3-dintrobenzene,6-iodo-1,3-dintrobenzene,2,4-dinitro-1-iodobenzene,not697x2xm,1-iodo-2,4-dinitro-benzene,1-iod-2,4-dinitrobenzol PubChem CID: 69730 ChEBI: CHEBI:59000 IUPAC Name: 1-iodo-2,4-dinitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])I

PubChem CID 69730
CAS 709-49-9
Molecular Weight (g/mol) 294.004
ChEBI CHEBI:59000
MDL Number MFCD00039738
SMILES C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])I
Synonym 2,4-dinitroiodobenzene,benzene, 1-iodo-2,4-dinitro,unii-not697x2xm,ccris 7907,4-iodo-1,3-dintrobenzene,6-iodo-1,3-dintrobenzene,2,4-dinitro-1-iodobenzene,not697x2xm,1-iodo-2,4-dinitro-benzene,1-iod-2,4-dinitrobenzol
IUPAC Name 1-iodo-2,4-dinitrobenzene
InChI Key FXMKXMJLXRTQSW-UHFFFAOYSA-N
Molecular Formula C6H3IN2O4
3,396

4,6-Dimethyl-2-nitroaniline, 97%

CAS: 1635-84-3 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 InChI Key: VSRYYONYIUUFFY-UHFFFAOYSA-N Synonym: 4,6-dimethyl-2-nitroaniline,6-nitro-2,4-xylidine,2,4-dimethyl-6-nitrophenyl amine,benzenamine, 2,4-dimethyl-6-nitro,2,4-dimethyl-6-nitrophenylamine,acmc-209uyq,intermediates-zcf02230,4-amino-5-nitro-m-xylene,cambridge id 5100320,2-nitro-4,6-dimethylaniline PubChem CID: 74219 IUPAC Name: 2,4-dimethyl-6-nitroaniline SMILES: CC1=CC(=C(C(=C1)[N+](=O)[O-])N)C

PubChem CID 74219
CAS 1635-84-3
Molecular Weight (g/mol) 166.18
SMILES CC1=CC(=C(C(=C1)[N+](=O)[O-])N)C
Synonym 4,6-dimethyl-2-nitroaniline,6-nitro-2,4-xylidine,2,4-dimethyl-6-nitrophenyl amine,benzenamine, 2,4-dimethyl-6-nitro,2,4-dimethyl-6-nitrophenylamine,acmc-209uyq,intermediates-zcf02230,4-amino-5-nitro-m-xylene,cambridge id 5100320,2-nitro-4,6-dimethylaniline
IUPAC Name 2,4-dimethyl-6-nitroaniline
InChI Key VSRYYONYIUUFFY-UHFFFAOYSA-N
Molecular Formula C8H10N2O2
3,397

3-(Triphenylphosphoranylidene)dihydrofuran-2-(3H)-one, 97%, Thermo Scientific™

CAS: 34932-07-5 Molecular Formula: C22H19O2P Molecular Weight (g/mol): 346.37 MDL Number: MFCD00065318 InChI Key: JUKRJGQYUNADDD-UHFFFAOYSA-N Synonym: 2 3h-furanone, 3-triphenylphosphoranylidene,gamma-butyrolactonylidene triphenyl phosphorane,2-triphenylphosphoranylidene-gamma-butyrolactone,alpha-triphenylphosphoranylidene-gamma-butyrolactone,2 3h-furanone, dihydro-3-triphenylphosphoranylidene,3-triphenylphosphoranylidene dihydro-2 3h-furanone,3-triphenyl-??-phosphanylidene oxolan-2-one,3-triphenyl-,e5-phosphanylidene dihydrofuran-2 3h-one,.gamma.-butyrolactonylidene triphenyl phosphorane,2-oxotetrahydrofuran-3-ylidenetriphenylphosphorane PubChem CID: 97111 IUPAC Name: 3-(triphenyl-$l^{5}-phosphanylidene)oxolan-2-one SMILES: O=C1OCCC1=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 97111
CAS 34932-07-5
Molecular Weight (g/mol) 346.37
MDL Number MFCD00065318
SMILES O=C1OCCC1=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym 2 3h-furanone, 3-triphenylphosphoranylidene,gamma-butyrolactonylidene triphenyl phosphorane,2-triphenylphosphoranylidene-gamma-butyrolactone,alpha-triphenylphosphoranylidene-gamma-butyrolactone,2 3h-furanone, dihydro-3-triphenylphosphoranylidene,3-triphenylphosphoranylidene dihydro-2 3h-furanone,3-triphenyl-??-phosphanylidene oxolan-2-one,3-triphenyl-,e5-phosphanylidene dihydrofuran-2 3h-one,.gamma.-butyrolactonylidene triphenyl phosphorane,2-oxotetrahydrofuran-3-ylidenetriphenylphosphorane
IUPAC Name 3-(triphenyl-$l^{5}-phosphanylidene)oxolan-2-one
InChI Key JUKRJGQYUNADDD-UHFFFAOYSA-N
Molecular Formula C22H19O2P
3,398

2-Methyl-1,4-naphthoquinone, 98%

CAS: 58-27-5 Molecular Formula: C11H8O2 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00001681 InChI Key: MJVAVZPDRWSRRC-UHFFFAOYSA-N Synonym: menadione,vitamin k3,2-methyl-1,4-naphthoquinone,menaphthone,2-methylnaphthoquinone,thyloquinone,kappaxin,kayquinone,klottone,panosine PubChem CID: 4055 ChEBI: CHEBI:28869 IUPAC Name: 2-methylnaphthalene-1,4-dione SMILES: CC1=CC(=O)C2=CC=CC=C2C1=O

PubChem CID 4055
CAS 58-27-5
Molecular Weight (g/mol) 172.18
ChEBI CHEBI:28869
MDL Number MFCD00001681
SMILES CC1=CC(=O)C2=CC=CC=C2C1=O
Synonym menadione,vitamin k3,2-methyl-1,4-naphthoquinone,menaphthone,2-methylnaphthoquinone,thyloquinone,kappaxin,kayquinone,klottone,panosine
IUPAC Name 2-methylnaphthalene-1,4-dione
InChI Key MJVAVZPDRWSRRC-UHFFFAOYSA-N
Molecular Formula C11H8O2
3,399

Thermo Scientific Chemicals Adapalene

CAS: 106685-40-9 Molecular Formula: C28H28O3 Molecular Weight (g/mol): 412.53 InChI Key: LZCDAPDGXCYOEH-UHFFFAOYSA-N IUPAC Name: 6-[3-(adamantan-1-yl)-4-methoxyphenyl]naphthalene-2-carboxylic acid SMILES: COC1=CC=C(C=C1C12CC3CC(CC(C3)C1)C2)C1=CC=C2C=C(C=CC2=C1)C(O)=O

CAS 106685-40-9
Molecular Weight (g/mol) 412.53
SMILES COC1=CC=C(C=C1C12CC3CC(CC(C3)C1)C2)C1=CC=C2C=C(C=CC2=C1)C(O)=O
IUPAC Name 6-[3-(adamantan-1-yl)-4-methoxyphenyl]naphthalene-2-carboxylic acid
InChI Key LZCDAPDGXCYOEH-UHFFFAOYSA-N
Molecular Formula C28H28O3
3,400

Isoprenaline hydrochloride, 98%, Thermo Scientific Chemicals

CAS: 51-30-9 Molecular Formula: C11H18ClNO3 Molecular Weight (g/mol): 247.72 MDL Number: MFCD00012603,MFCD00064548 InChI Key: IROWCYIEJAOFOW-UHFFFAOYNA-N Synonym: isoprenaline hydrochloride,isoproterenol hydrochloride,isuprel,euspiran,isoprenaline hcl,isoproterenol hcl,aerolone,aerotrol,izadrin,vapo-iso PubChem CID: 5807 IUPAC Name: 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;hydrochloride SMILES: [H+].[Cl-].CC(C)NCC(O)C1=CC=C(O)C(O)=C1

PubChem CID 5807
CAS 51-30-9
Molecular Weight (g/mol) 247.72
MDL Number MFCD00012603,MFCD00064548
SMILES [H+].[Cl-].CC(C)NCC(O)C1=CC=C(O)C(O)=C1
Synonym isoprenaline hydrochloride,isoproterenol hydrochloride,isuprel,euspiran,isoprenaline hcl,isoproterenol hcl,aerolone,aerotrol,izadrin,vapo-iso
IUPAC Name 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;hydrochloride
InChI Key IROWCYIEJAOFOW-UHFFFAOYNA-N
Molecular Formula C11H18ClNO3
3,401

2-Isopropylphenyl isothiocyanate, ≥95%, Thermo Scientific™

CAS: 36176-31-5 Molecular Formula: C10H11NS Molecular Weight (g/mol): 177.265 MDL Number: MFCD00022053 InChI Key: QQOOMDSEMQHMIR-UHFFFAOYSA-N Synonym: 2-isopropylphenyl isothiocyanate,1-isopropyl-2-isothiocyanatobenzene,1-isothiocyanato-2-propan-2-yl benzene,benzene, 1-isothiocyanato-2-1-methylethyl,2-methylethyl benzenisothiocyanate,2-isopropylphenylisothiocyanate,acmc-20ansf,2-isopropylphenyl-isothiocyanate,2-iso-propylphenyl isothiocyanate PubChem CID: 142052 IUPAC Name: 1-isothiocyanato-2-propan-2-ylbenzene SMILES: CC(C)C1=CC=CC=C1N=C=S

PubChem CID 142052
CAS 36176-31-5
Molecular Weight (g/mol) 177.265
MDL Number MFCD00022053
SMILES CC(C)C1=CC=CC=C1N=C=S
Synonym 2-isopropylphenyl isothiocyanate,1-isopropyl-2-isothiocyanatobenzene,1-isothiocyanato-2-propan-2-yl benzene,benzene, 1-isothiocyanato-2-1-methylethyl,2-methylethyl benzenisothiocyanate,2-isopropylphenylisothiocyanate,acmc-20ansf,2-isopropylphenyl-isothiocyanate,2-iso-propylphenyl isothiocyanate
IUPAC Name 1-isothiocyanato-2-propan-2-ylbenzene
InChI Key QQOOMDSEMQHMIR-UHFFFAOYSA-N
Molecular Formula C10H11NS
3,402

3-Bromophenylhydrazine hydrochloride, 98%

CAS: 27246-81-7 Molecular Formula: C6H8BrClN2 Molecular Weight (g/mol): 223.50 MDL Number: MFCD00012933 InChI Key: RPYIPFXHIKXRKS-UHFFFAOYSA-N Synonym: 3-bromophenylhydrazine hydrochloride,3-bromophenyl hydrazine hydrochloride,1-3-bromophenyl hydrazine hydrochloride,m-bromophenyl hydrazine hydrochloride,hydrazine, m-bromophenyl-, monohydrochloride,3-bromophenylhydrazinehydrochloride,3-bromophenyl hydrazine hcl,hydrazine, 3-bromophenyl-, monohydrochloride,pubchem23212,acmc-1clhx PubChem CID: 33757 IUPAC Name: (3-bromophenyl)hydrazine;hydrochloride SMILES: [H+].[Cl-].NNC1=CC=CC(Br)=C1

PubChem CID 33757
CAS 27246-81-7
Molecular Weight (g/mol) 223.50
MDL Number MFCD00012933
SMILES [H+].[Cl-].NNC1=CC=CC(Br)=C1
Synonym 3-bromophenylhydrazine hydrochloride,3-bromophenyl hydrazine hydrochloride,1-3-bromophenyl hydrazine hydrochloride,m-bromophenyl hydrazine hydrochloride,hydrazine, m-bromophenyl-, monohydrochloride,3-bromophenylhydrazinehydrochloride,3-bromophenyl hydrazine hcl,hydrazine, 3-bromophenyl-, monohydrochloride,pubchem23212,acmc-1clhx
IUPAC Name (3-bromophenyl)hydrazine;hydrochloride
InChI Key RPYIPFXHIKXRKS-UHFFFAOYSA-N
Molecular Formula C6H8BrClN2
3,403

m-Tolualdehyde, 98%, stabilized

CAS: 620-23-5 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00003374 InChI Key: OVWYEQOVUDKZNU-UHFFFAOYSA-N Synonym: m-tolualdehyde,benzaldehyde, 3-methyl,m-methylbenzaldehyde,3-tolylaldehyde,3-tolualdehyde,m-tolyl aldehyde,m-toluylaldehyde,3-methyl-benzaldehyd,unii-owh6650c4y,3-methyl benzaldehyde PubChem CID: 12105 ChEBI: CHEBI:28476 IUPAC Name: 3-methylbenzaldehyde SMILES: CC1=CC=CC(=C1)C=O

PubChem CID 12105
CAS 620-23-5
Molecular Weight (g/mol) 120.15
ChEBI CHEBI:28476
MDL Number MFCD00003374
SMILES CC1=CC=CC(=C1)C=O
Synonym m-tolualdehyde,benzaldehyde, 3-methyl,m-methylbenzaldehyde,3-tolylaldehyde,3-tolualdehyde,m-tolyl aldehyde,m-toluylaldehyde,3-methyl-benzaldehyd,unii-owh6650c4y,3-methyl benzaldehyde
IUPAC Name 3-methylbenzaldehyde
InChI Key OVWYEQOVUDKZNU-UHFFFAOYSA-N
Molecular Formula C8H8O
3,404

2-(Trifluoromethyl)phenylhydrazine, 97%

CAS: 365-34-4 Molecular Formula: C7H7F3N2 Molecular Weight (g/mol): 176.142 MDL Number: MFCD00052687 InChI Key: JSWQDLBFVSTSIW-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenylhydrazine,2-trifluoromethyl phenyl hydrazine,2-trifluoromethylphenylhydrazine,1-2-trifluoromethyl phenyl hydrazine,m-trifluoromethylphenylhydrazine,hydrazine, 2-trifluoromethyl phenyl,buttpark 44\57-17,2-trifluoromethyl-phenyl-hydrazine PubChem CID: 520800 IUPAC Name: [2-(trifluoromethyl)phenyl]hydrazine SMILES: C1=CC=C(C(=C1)C(F)(F)F)NN

PubChem CID 520800
CAS 365-34-4
Molecular Weight (g/mol) 176.142
MDL Number MFCD00052687
SMILES C1=CC=C(C(=C1)C(F)(F)F)NN
Synonym 2-trifluoromethyl phenylhydrazine,2-trifluoromethyl phenyl hydrazine,2-trifluoromethylphenylhydrazine,1-2-trifluoromethyl phenyl hydrazine,m-trifluoromethylphenylhydrazine,hydrazine, 2-trifluoromethyl phenyl,buttpark 44\57-17,2-trifluoromethyl-phenyl-hydrazine
IUPAC Name [2-(trifluoromethyl)phenyl]hydrazine
InChI Key JSWQDLBFVSTSIW-UHFFFAOYSA-N
Molecular Formula C7H7F3N2
3,405

Chloropentafluorobenzene, 98+%

CAS: 344-07-0 Molecular Formula: C6ClF5 Molecular Weight (g/mol): 202.51 MDL Number: MFCD00000534 InChI Key: KGCDGLXSBHJAHZ-UHFFFAOYSA-N Synonym: chloropentafluorobenzene,pentafluorochlorobenzene,benzene, chloropentafluoro,pentafluorophenyl chloride,chloroperfluorobenzene,ccris 2394,pentafluorochloro benzene,1-chloro-2,3,4,5,6-pentafluoro-benzene,benzene, 1-chloro-2,3,4,5,6-pentafluoro,pentafluorophenylchloride PubChem CID: 9579 IUPAC Name: 1-chloro-2,3,4,5,6-pentafluorobenzene SMILES: FC1=C(F)C(F)=C(Cl)C(F)=C1F

PubChem CID 9579
CAS 344-07-0
Molecular Weight (g/mol) 202.51
MDL Number MFCD00000534
SMILES FC1=C(F)C(F)=C(Cl)C(F)=C1F
Synonym chloropentafluorobenzene,pentafluorochlorobenzene,benzene, chloropentafluoro,pentafluorophenyl chloride,chloroperfluorobenzene,ccris 2394,pentafluorochloro benzene,1-chloro-2,3,4,5,6-pentafluoro-benzene,benzene, 1-chloro-2,3,4,5,6-pentafluoro,pentafluorophenylchloride
IUPAC Name 1-chloro-2,3,4,5,6-pentafluorobenzene
InChI Key KGCDGLXSBHJAHZ-UHFFFAOYSA-N
Molecular Formula C6ClF5