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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 (67,624)
Phenols (13,427)
Naphthalenes (5,064)
Fluorenes (1,235)
Unsubstituted Phenols (1,165)
Thiophenols (617)
Phenol esters (557)
Anthracenes (412)
Phenanthrenes and derivatives (327)
Tetralins (327)
Indanes (313)
Triphenyl compounds (277)
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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Keyword Search:
6,991 – 7,005 of 78,442 results
6,991

3-Iodophenylacetic Acid 98.0+%, TCI America™

CAS: 1878-69-9 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.05 MDL Number: MFCD00046548 InChI Key: MRSWWBAFGGGWRH-UHFFFAOYSA-N Synonym: 3-iodophenylacetic acid,2-3-iodophenyl acetic acid,3-iodophenyl acetic acid,m-iodophenylacetic acid,m-iodobenzeneacetic acid,benzeneacetic acid, 3-iodo,pubchem4195,3-iodophenylaceticacid,acmc-1cfam,3-iodobenzeneacetic acid PubChem CID: 3870220 IUPAC Name: 2-(3-iodophenyl)acetic acid SMILES: OC(=O)CC1=CC(I)=CC=C1

PubChem CID 3870220
CAS 1878-69-9
Molecular Weight (g/mol) 262.05
MDL Number MFCD00046548
SMILES OC(=O)CC1=CC(I)=CC=C1
Synonym 3-iodophenylacetic acid,2-3-iodophenyl acetic acid,3-iodophenyl acetic acid,m-iodophenylacetic acid,m-iodobenzeneacetic acid,benzeneacetic acid, 3-iodo,pubchem4195,3-iodophenylaceticacid,acmc-1cfam,3-iodobenzeneacetic acid
IUPAC Name 2-(3-iodophenyl)acetic acid
InChI Key MRSWWBAFGGGWRH-UHFFFAOYSA-N
Molecular Formula C8H7IO2
6,992

o-Xylyl Cyanide 98.0+%, TCI America™

CAS: 22364-68-7 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.178 MDL Number: MFCD00001904 InChI Key: WMGVPDQNPUQRND-UHFFFAOYSA-N Synonym: 2-methylbenzyl cyanide,2-o-tolyl acetonitrile,o-tolylacetonitrile,2-methylphenylacetonitrile,o-methylphenylacetonitrile,o-xylyl cyanide,o-methylbenzyl cyanide,acetonitrile, o-tolyl,benzeneacetonitrile, 2-methyl,2-2-methylphenyl acetonitrile PubChem CID: 31155 ChEBI: CHEBI:27982 IUPAC Name: 2-(2-methylphenyl)acetonitrile SMILES: CC1=CC=CC=C1CC#N

PubChem CID 31155
CAS 22364-68-7
Molecular Weight (g/mol) 131.178
ChEBI CHEBI:27982
MDL Number MFCD00001904
SMILES CC1=CC=CC=C1CC#N
Synonym 2-methylbenzyl cyanide,2-o-tolyl acetonitrile,o-tolylacetonitrile,2-methylphenylacetonitrile,o-methylphenylacetonitrile,o-xylyl cyanide,o-methylbenzyl cyanide,acetonitrile, o-tolyl,benzeneacetonitrile, 2-methyl,2-2-methylphenyl acetonitrile
IUPAC Name 2-(2-methylphenyl)acetonitrile
InChI Key WMGVPDQNPUQRND-UHFFFAOYSA-N
Molecular Formula C9H9N
6,993

Benzenesulfonanilide 98.0+%, TCI America™

CAS: 1678-25-7 Molecular Formula: C12H11NO2S Molecular Weight (g/mol): 233.29 MDL Number: MFCD00035919 InChI Key: XAUGWFWQVYXATQ-UHFFFAOYSA-N Synonym: benzenesulfonanilide,benzoylsulfanilide,benzenesulfoanilide,benzensulfonanilide,benzenesulfanilide,benzenesulfonamide, n-phenyl,n-phenylbenzenesulphonamide,phenyl phenylsulfonyl amine,n-phenyl-benzenesulfonamide,chembl83148 PubChem CID: 74296 IUPAC Name: N-phenylbenzenesulfonamide SMILES: O=S(=O)(NC1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 74296
CAS 1678-25-7
Molecular Weight (g/mol) 233.29
MDL Number MFCD00035919
SMILES O=S(=O)(NC1=CC=CC=C1)C1=CC=CC=C1
Synonym benzenesulfonanilide,benzoylsulfanilide,benzenesulfoanilide,benzensulfonanilide,benzenesulfanilide,benzenesulfonamide, n-phenyl,n-phenylbenzenesulphonamide,phenyl phenylsulfonyl amine,n-phenyl-benzenesulfonamide,chembl83148
IUPAC Name N-phenylbenzenesulfonamide
InChI Key XAUGWFWQVYXATQ-UHFFFAOYSA-N
Molecular Formula C12H11NO2S
6,994

o-Phenetidine 98.0+%, TCI America™

CAS: 94-70-2 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00007689 InChI Key: ULHFFAFDSSHFDA-UHFFFAOYSA-N Synonym: o-phenetidine,2-aminophenetole,benzenamine, 2-ethoxy,o-ethoxyaniline,2-ethoxybenzenamine,o-aminophenetole,2-ethoxyphenylamine,ethoxyaniline,2-phenetidine,benzenamine, ar-ethoxy PubChem CID: 7203 IUPAC Name: 2-ethoxyaniline SMILES: CCOC1=CC=CC=C1N

PubChem CID 7203
CAS 94-70-2
Molecular Weight (g/mol) 137.182
MDL Number MFCD00007689
SMILES CCOC1=CC=CC=C1N
Synonym o-phenetidine,2-aminophenetole,benzenamine, 2-ethoxy,o-ethoxyaniline,2-ethoxybenzenamine,o-aminophenetole,2-ethoxyphenylamine,ethoxyaniline,2-phenetidine,benzenamine, ar-ethoxy
IUPAC Name 2-ethoxyaniline
InChI Key ULHFFAFDSSHFDA-UHFFFAOYSA-N
Molecular Formula C8H11NO
6,995

N-(4-Fluorobenzylidene)aniline 98.0+%, TCI America™

CAS: 5676-81-3 Molecular Formula: C13H10FN Molecular Weight (g/mol): 199.228 MDL Number: MFCD00017971 InChI Key: MPRONVWLCPZXOB-UHFFFAOYSA-N Synonym: n-4-fluorobenzylidene aniline,4-fluorobenzylideneaniline,1-4-fluorophenyl-n-phenylmethanimine,benzenamine, n-4-fluorophenyl methylene-, e,p-fluorobenzylideneaniline,acmc-20m5v4,ambscpod_02/0603,4-fluorophenyl methylenebenzenamine,e-n-4-fluorobenzylidene aniline,n-e-4-fluorobenzylidene aniline PubChem CID: 918392 IUPAC Name: 1-(4-fluorophenyl)-N-phenylmethanimine SMILES: C1=CC=C(C=C1)N=CC2=CC=C(C=C2)F

PubChem CID 918392
CAS 5676-81-3
Molecular Weight (g/mol) 199.228
MDL Number MFCD00017971
SMILES C1=CC=C(C=C1)N=CC2=CC=C(C=C2)F
Synonym n-4-fluorobenzylidene aniline,4-fluorobenzylideneaniline,1-4-fluorophenyl-n-phenylmethanimine,benzenamine, n-4-fluorophenyl methylene-, e,p-fluorobenzylideneaniline,acmc-20m5v4,ambscpod_02/0603,4-fluorophenyl methylenebenzenamine,e-n-4-fluorobenzylidene aniline,n-e-4-fluorobenzylidene aniline
IUPAC Name 1-(4-fluorophenyl)-N-phenylmethanimine
InChI Key MPRONVWLCPZXOB-UHFFFAOYSA-N
Molecular Formula C13H10FN
6,996

Fluorescin 95.0+%, TCI America™

CAS: 518-44-5 Molecular Formula: C20H14O5 Molecular Weight (g/mol): 334.327 MDL Number: MFCD00046931 InChI Key: MURGITYSBWUQTI-UHFFFAOYSA-N PubChem CID: 68205 ChEBI: CHEBI:42492 IUPAC Name: 2-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid SMILES: C1=CC=C(C(=C1)C2C3=C(C=C(C=C3)O)OC4=C2C=CC(=C4)O)C(=O)O

PubChem CID 68205
CAS 518-44-5
Molecular Weight (g/mol) 334.327
ChEBI CHEBI:42492
MDL Number MFCD00046931
SMILES C1=CC=C(C(=C1)C2C3=C(C=C(C=C3)O)OC4=C2C=CC(=C4)O)C(=O)O
IUPAC Name 2-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid
InChI Key MURGITYSBWUQTI-UHFFFAOYSA-N
Molecular Formula C20H14O5
6,997

Salbutamol Hemisulfate 98.0+%, TCI America™

CAS: 51022-70-9 Molecular Formula: C13H23NO7S Molecular Weight (g/mol): 337.387 MDL Number: MFCD00055200 InChI Key: OVICLFZZVQVVFT-UHFFFAOYSA-N Synonym: salbutamol sulfate,albuterol sulfate,ventolin,ventorlin,4-2-tert-butylamino-1-hydroxyethyl-2-hydroxymethyl phenol sulfate,asthavent,albuterol sulfate 1:x,salbutamol; sulfuric acid,asmaven sulfate,2-tert-butylamino-1-4-hydroxy-3-hydroxymethylphenyl ethanol hemisulfate PubChem CID: 9884233 IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid SMILES: CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O

PubChem CID 9884233
CAS 51022-70-9
Molecular Weight (g/mol) 337.387
MDL Number MFCD00055200
SMILES CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O
Synonym salbutamol sulfate,albuterol sulfate,ventolin,ventorlin,4-2-tert-butylamino-1-hydroxyethyl-2-hydroxymethyl phenol sulfate,asthavent,albuterol sulfate 1:x,salbutamol; sulfuric acid,asmaven sulfate,2-tert-butylamino-1-4-hydroxy-3-hydroxymethylphenyl ethanol hemisulfate
IUPAC Name 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid
InChI Key OVICLFZZVQVVFT-UHFFFAOYSA-N
Molecular Formula C13H23NO7S
6,998

4-(Difluoromethoxy)nitrobenzene, TCI America™

CAS: 1544-86-1 Molecular Formula: C7H5F2NO3 Molecular Weight (g/mol): 189.118 MDL Number: MFCD00085009 InChI Key: SVGGBARCOQPYMV-UHFFFAOYSA-N Synonym: 4-difluoromethoxy nitrobenzene,1-difluoromethoxy-4-nitrobenzene,1-difluoromethoxy-4-nitro-benzene,4-difluoromethoxy-1-nitrobenzene,acmc-209dar,4-difluoromethoxynitrobenzene,svggbarcoqpymv-uhfffaoysa,4-nitro-alpha,alpha-difluoroanisole PubChem CID: 2737014 IUPAC Name: 1-(difluoromethoxy)-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(F)F

PubChem CID 2737014
CAS 1544-86-1
Molecular Weight (g/mol) 189.118
MDL Number MFCD00085009
SMILES C1=CC(=CC=C1[N+](=O)[O-])OC(F)F
Synonym 4-difluoromethoxy nitrobenzene,1-difluoromethoxy-4-nitrobenzene,1-difluoromethoxy-4-nitro-benzene,4-difluoromethoxy-1-nitrobenzene,acmc-209dar,4-difluoromethoxynitrobenzene,svggbarcoqpymv-uhfffaoysa,4-nitro-alpha,alpha-difluoroanisole
IUPAC Name 1-(difluoromethoxy)-4-nitrobenzene
InChI Key SVGGBARCOQPYMV-UHFFFAOYSA-N
Molecular Formula C7H5F2NO3
6,999

9,9-Di-n-octylfluorene 97.0+%, TCI America™

CAS: 123863-99-0 Molecular Formula: C29H42 Molecular Weight (g/mol): 390.66 MDL Number: MFCD08276358 InChI Key: RXACYPFGPNTUNV-UHFFFAOYSA-N PubChem CID: 16213863 IUPAC Name: 9,9-dioctyl-9H-fluorene SMILES: CCCCCCCCC1(CCCCCCCC)C2=CC=CC=C2C2=CC=CC=C12

PubChem CID 16213863
CAS 123863-99-0
Molecular Weight (g/mol) 390.66
MDL Number MFCD08276358
SMILES CCCCCCCCC1(CCCCCCCC)C2=CC=CC=C2C2=CC=CC=C12
IUPAC Name 9,9-dioctyl-9H-fluorene
InChI Key RXACYPFGPNTUNV-UHFFFAOYSA-N
Molecular Formula C29H42
7,000

2-Hydroxy-5-nitro-m-anisaldehyde 99.0+%, TCI America™

CAS: 17028-61-4 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.15 MDL Number: MFCD00017033 InChI Key: HGKHVFKBOHFYSS-UHFFFAOYSA-N Synonym: 3-methoxy-5-nitrosalicylaldehyde,2-hydroxy-5-nitro-m-anisaldehyde,benzaldehyde, 2-hydroxy-3-methoxy-5-nitro,5-nitro-o-vanillin,acmc-1bt2m,3-methoxy-5-nitrosalicyladehyde,2-hydroxy-5-nitro-3-methoxybenzaldehyde,benzaldehyde,2-hydroxy-3-methoxy-5-nitro PubChem CID: 307886 IUPAC Name: 2-hydroxy-3-methoxy-5-nitrobenzaldehyde SMILES: COC1=CC(=CC(C=O)=C1O)[N+]([O-])=O

PubChem CID 307886
CAS 17028-61-4
Molecular Weight (g/mol) 197.15
MDL Number MFCD00017033
SMILES COC1=CC(=CC(C=O)=C1O)[N+]([O-])=O
Synonym 3-methoxy-5-nitrosalicylaldehyde,2-hydroxy-5-nitro-m-anisaldehyde,benzaldehyde, 2-hydroxy-3-methoxy-5-nitro,5-nitro-o-vanillin,acmc-1bt2m,3-methoxy-5-nitrosalicyladehyde,2-hydroxy-5-nitro-3-methoxybenzaldehyde,benzaldehyde,2-hydroxy-3-methoxy-5-nitro
IUPAC Name 2-hydroxy-3-methoxy-5-nitrobenzaldehyde
InChI Key HGKHVFKBOHFYSS-UHFFFAOYSA-N
Molecular Formula C8H7NO5
7,001

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

CAS: 85118-06-5 Molecular Formula: C7H7F2N Molecular Weight (g/mol): 143.14 MDL Number: MFCD00010143 InChI Key: GDFBHCMFIUBEQT-UHFFFAOYSA-N Synonym: 2,5-difluorobenzylamine,2,5-difluorophenyl methanamine,benzenemethanamine, 2,5-difluoro,2,5-difluorobenzyl amine,1-2,5-difluorophenyl methanamine,2, 5-difluorobenzylamine,2,5-difluorophenyl methylamine,pubchem4401,2,5-difluoro-benzylamine,acmc-209q4p PubChem CID: 123589 IUPAC Name: 1-(2,5-difluorophenyl)methanamine SMILES: NCC1=CC(F)=CC=C1F

PubChem CID 123589
CAS 85118-06-5
Molecular Weight (g/mol) 143.14
MDL Number MFCD00010143
SMILES NCC1=CC(F)=CC=C1F
Synonym 2,5-difluorobenzylamine,2,5-difluorophenyl methanamine,benzenemethanamine, 2,5-difluoro,2,5-difluorobenzyl amine,1-2,5-difluorophenyl methanamine,2, 5-difluorobenzylamine,2,5-difluorophenyl methylamine,pubchem4401,2,5-difluoro-benzylamine,acmc-209q4p
IUPAC Name 1-(2,5-difluorophenyl)methanamine
InChI Key GDFBHCMFIUBEQT-UHFFFAOYSA-N
Molecular Formula C7H7F2N
7,002

4-Nitro-m-cresol 98.0+%, TCI America™

CAS: 2581-34-2 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007333 InChI Key: PIIZYNQECPTVEO-UHFFFAOYSA-N Synonym: 4-nitro-m-cresol,4-nitro-3-cresol,4-nitro-3-methylphenol,2-nitro-5-hydroxytoluene,5-hydroxy-2-nitrotoluene,phenol, 3-methyl-4-nitro,4-nitro-5-methylphenol,m-cresol, 4-nitro,p-nitro-m-cresol,4-nitro-1-hydroxy-3-methylbenzene PubChem CID: 17412 ChEBI: CHEBI:38683 IUPAC Name: 3-methyl-4-nitrophenol SMILES: CC1=CC(O)=CC=C1[N+]([O-])=O

PubChem CID 17412
CAS 2581-34-2
Molecular Weight (g/mol) 153.14
ChEBI CHEBI:38683
MDL Number MFCD00007333
SMILES CC1=CC(O)=CC=C1[N+]([O-])=O
Synonym 4-nitro-m-cresol,4-nitro-3-cresol,4-nitro-3-methylphenol,2-nitro-5-hydroxytoluene,5-hydroxy-2-nitrotoluene,phenol, 3-methyl-4-nitro,4-nitro-5-methylphenol,m-cresol, 4-nitro,p-nitro-m-cresol,4-nitro-1-hydroxy-3-methylbenzene
IUPAC Name 3-methyl-4-nitrophenol
InChI Key PIIZYNQECPTVEO-UHFFFAOYSA-N
Molecular Formula C7H7NO3
7,003

4'-Acetylbenzo-18-crown 6-Ether 97.0+%, TCI America™

CAS: 41855-35-0 Molecular Formula: C18H26O7 Molecular Weight (g/mol): 354.399 MDL Number: MFCD00188456 InChI Key: GOVDFSVHYMATAJ-UHFFFAOYSA-N Synonym: 2,3-(4-Acetylbenzo)-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene PubChem CID: 3660800 IUPAC Name: 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone SMILES: CC(=O)C1=CC2=C(C=C1)OCCOCCOCCOCCOCCO2

PubChem CID 3660800
CAS 41855-35-0
Molecular Weight (g/mol) 354.399
MDL Number MFCD00188456
SMILES CC(=O)C1=CC2=C(C=C1)OCCOCCOCCOCCOCCO2
Synonym 2,3-(4-Acetylbenzo)-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene
IUPAC Name 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone
InChI Key GOVDFSVHYMATAJ-UHFFFAOYSA-N
Molecular Formula C18H26O7
7,004

Tetrafluoroisophthalonitrile 98.0+%, TCI America™

CAS: 2377-81-3 Molecular Formula: C8F4N2 Molecular Weight (g/mol): 200.10 MDL Number: MFCD00013290 InChI Key: WVHMPQKZPHOCRD-UHFFFAOYSA-N Synonym: tetrafluoroisophthalonitrile,2,4,5,6-tetrafluoroisophthalonitrile,perfluoroisophthalonitrile,tetrafluorobenzene-1,3-dicarbonitrile,1,3-benzenedicarbonitrile, 2,4,5,6-tetrafluoro,tetrafluoroisopthalonitrile,m-dicyanotetrafluorobenzene,acmc-209g5p,1,3-dicyanoperfluorobenzene PubChem CID: 608182 IUPAC Name: tetrafluorobenzene-1,3-dicarbonitrile SMILES: FC1=C(F)C(C#N)=C(F)C(C#N)=C1F

PubChem CID 608182
CAS 2377-81-3
Molecular Weight (g/mol) 200.10
MDL Number MFCD00013290
SMILES FC1=C(F)C(C#N)=C(F)C(C#N)=C1F
Synonym tetrafluoroisophthalonitrile,2,4,5,6-tetrafluoroisophthalonitrile,perfluoroisophthalonitrile,tetrafluorobenzene-1,3-dicarbonitrile,1,3-benzenedicarbonitrile, 2,4,5,6-tetrafluoro,tetrafluoroisopthalonitrile,m-dicyanotetrafluorobenzene,acmc-209g5p,1,3-dicyanoperfluorobenzene
IUPAC Name tetrafluorobenzene-1,3-dicarbonitrile
InChI Key WVHMPQKZPHOCRD-UHFFFAOYSA-N
Molecular Formula C8F4N2
7,005

4,4'-(1,3-Dimethylbutylidene)diphenol 98.0+%, TCI America™

CAS: 6807-17-6 Molecular Formula: C18H22O2 Molecular Weight (g/mol): 270.372 InChI Key: VHLLJTHDWPAQEM-UHFFFAOYSA-N Synonym: 2,2-Bis(4-hydroxyphenyl)-4-methylpentane PubChem CID: 81259 IUPAC Name: 4-[2-(4-hydroxyphenyl)-4-methylpentan-2-yl]phenol SMILES: CC(C)CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

PubChem CID 81259
CAS 6807-17-6
Molecular Weight (g/mol) 270.372
SMILES CC(C)CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
Synonym 2,2-Bis(4-hydroxyphenyl)-4-methylpentane
IUPAC Name 4-[2-(4-hydroxyphenyl)-4-methylpentan-2-yl]phenol
InChI Key VHLLJTHDWPAQEM-UHFFFAOYSA-N
Molecular Formula C18H22O2