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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 (64,925)
Phenols (11,912)
Naphthalenes (4,958)
Fluorenes (1,242)
Unsubstituted Phenols (1,173)
Thiophenols (609)
Phenol esters (426)
Anthracenes (400)
Tetralins (329)
Phenanthrenes and derivatives (300)
Triphenyl compounds (290)
Indanes (288)
Pyrenes (217)
Dibenzocycloheptenes (65)
Ellagic acids and derivatives (33)
Naphthacenes (31)
Acenaphthylenes (16)
Pentacenequinones (16)
Pentacenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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9,466 – 9,480 of 73,815 results
9,466

2,4,5-Trimethoxybenzoic Acid 98.0+%, TCI America™
SDP

CAS: 490-64-2 Molecular Formula: C10H11O5 Molecular Weight (g/mol): 211.19 MDL Number: MFCD00002435 InChI Key: KVZUCOGWKYOPID-UHFFFAOYSA-M Synonym: asaronic acid,benzoic acid, 2,4,5-trimethoxy,asarylic acid,calamonic acid,acmc-209ket,2,4,5-trimethoxybenzoicacid,ksc489o7d,2,4,5-trimethoxy-benzoic acid,2,4,5-trimethoxybenzoic acid,alpha-hydroxyphenylacetic acid; amygdalic acid; alpha-hydroxyphenylacetic acid; alpha-hydroxy-benzeneacetic acid PubChem CID: 10276 IUPAC Name: 2,4,5-trimethoxybenzoate SMILES: COC1=CC(OC)=C(C=C1OC)C([O-])=O

PubChem CID 10276
CAS 490-64-2
Molecular Weight (g/mol) 211.19
MDL Number MFCD00002435
SMILES COC1=CC(OC)=C(C=C1OC)C([O-])=O
Synonym asaronic acid,benzoic acid, 2,4,5-trimethoxy,asarylic acid,calamonic acid,acmc-209ket,2,4,5-trimethoxybenzoicacid,ksc489o7d,2,4,5-trimethoxy-benzoic acid,2,4,5-trimethoxybenzoic acid,alpha-hydroxyphenylacetic acid; amygdalic acid; alpha-hydroxyphenylacetic acid; alpha-hydroxy-benzeneacetic acid
IUPAC Name 2,4,5-trimethoxybenzoate
InChI Key KVZUCOGWKYOPID-UHFFFAOYSA-M
Molecular Formula C10H11O5
9,467

5-Fluoro-2-nitrobenzaldehyde 98.0+%, TCI America™
SDP

CAS: 395-81-3 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.11 MDL Number: MFCD00153175 InChI Key: KKAFVHUJZPVWND-UHFFFAOYSA-N Synonym: 2-nitro-5-fluorobenzaldehyde,5-fluoro-2-nitrobenzadehyde,benzaldehyde, 5-fluoro-2-nitro,4-fluoro-2-formylnitrobenzene,5-fluoro-2-nitro-benzaldehyde,5-fluioro-2-nitrobenzaldehyde,pubchem3078,acmc-209j6a,3-fluoro-6-nitrobenzaldehyde,ksc581k6t PubChem CID: 587090 IUPAC Name: 5-fluoro-2-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC=C(F)C=C1C=O

PubChem CID 587090
CAS 395-81-3
Molecular Weight (g/mol) 169.11
MDL Number MFCD00153175
SMILES [O-][N+](=O)C1=CC=C(F)C=C1C=O
Synonym 2-nitro-5-fluorobenzaldehyde,5-fluoro-2-nitrobenzadehyde,benzaldehyde, 5-fluoro-2-nitro,4-fluoro-2-formylnitrobenzene,5-fluoro-2-nitro-benzaldehyde,5-fluioro-2-nitrobenzaldehyde,pubchem3078,acmc-209j6a,3-fluoro-6-nitrobenzaldehyde,ksc581k6t
IUPAC Name 5-fluoro-2-nitrobenzaldehyde
InChI Key KKAFVHUJZPVWND-UHFFFAOYSA-N
Molecular Formula C7H4FNO3
9,468

2-Phenoxybenzaldehyde 96.0+%, TCI America™
SDP

CAS: 19434-34-5 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00800666 InChI Key: IMPIIVKYTNMBCD-UHFFFAOYSA-N Synonym: o-phenoxybenzaldehyde,2-phenoxybenzenecarbaldehyde,2-formyldiphenyl ether,phenoxybenzaldehyde,2-phenoxy-benzaldehyde,pubchem16236,phenoxybenzenecarbaldehyde,opera_id_1384 PubChem CID: 88060 IUPAC Name: 2-phenoxybenzaldehyde SMILES: O=CC1=CC=CC=C1OC1=CC=CC=C1

PubChem CID 88060
CAS 19434-34-5
Molecular Weight (g/mol) 198.22
MDL Number MFCD00800666
SMILES O=CC1=CC=CC=C1OC1=CC=CC=C1
Synonym o-phenoxybenzaldehyde,2-phenoxybenzenecarbaldehyde,2-formyldiphenyl ether,phenoxybenzaldehyde,2-phenoxy-benzaldehyde,pubchem16236,phenoxybenzenecarbaldehyde,opera_id_1384
IUPAC Name 2-phenoxybenzaldehyde
InChI Key IMPIIVKYTNMBCD-UHFFFAOYSA-N
Molecular Formula C13H10O2
9,469

N-Isopropylbenzylamine 98.0+%, TCI America™
SDP

CAS: 102-97-6 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.237 MDL Number: MFCD00008863 InChI Key: LYBKPDDZTNUNNM-UHFFFAOYSA-N Synonym: n-isopropylbenzylamine,n-benzylisopropylamine,isopropylbenzylamine,n-benzyl-n-isopropylamine,benzylisopropylamine,benzenemethanamine, n-1-methylethyl,n-benzyl isopropylamine,benzylamine, n-isopropyl,n-1-methylethyl-benzenemethanamine,benzyl propan-2-yl amine PubChem CID: 66024 IUPAC Name: N-benzylpropan-2-amine SMILES: CC(C)NCC1=CC=CC=C1

PubChem CID 66024
CAS 102-97-6
Molecular Weight (g/mol) 149.237
MDL Number MFCD00008863
SMILES CC(C)NCC1=CC=CC=C1
Synonym n-isopropylbenzylamine,n-benzylisopropylamine,isopropylbenzylamine,n-benzyl-n-isopropylamine,benzylisopropylamine,benzenemethanamine, n-1-methylethyl,n-benzyl isopropylamine,benzylamine, n-isopropyl,n-1-methylethyl-benzenemethanamine,benzyl propan-2-yl amine
IUPAC Name N-benzylpropan-2-amine
InChI Key LYBKPDDZTNUNNM-UHFFFAOYSA-N
Molecular Formula C10H15N
9,470

Ethyl Pentafluorobenzoate 98.0+%, TCI America™
SDP

CAS: 4522-93-4 Molecular Formula: C9H5F5O2 Molecular Weight (g/mol): 240.13 MDL Number: MFCD00039211 InChI Key: DFUDMSIRGGTHGI-UHFFFAOYSA-N Synonym: ethyl pentafluorobenzoate,ethyl perfluorobenzoate,pentafluorobenzoic acid ethyl ester,2,3,4,5,6-pentafluoro-benzoic acid ethyl ester,benzoic acid, pentafluoro-, ethyl ester,ethylpentafluorobenzoate,acmc-1ajj1,rarechem al bi 0017,perfluorobenzoic acid ethyl ester PubChem CID: 78283 IUPAC Name: ethyl 2,3,4,5,6-pentafluorobenzoate SMILES: CCOC(=O)C1=C(F)C(F)=C(F)C(F)=C1F

PubChem CID 78283
CAS 4522-93-4
Molecular Weight (g/mol) 240.13
MDL Number MFCD00039211
SMILES CCOC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
Synonym ethyl pentafluorobenzoate,ethyl perfluorobenzoate,pentafluorobenzoic acid ethyl ester,2,3,4,5,6-pentafluoro-benzoic acid ethyl ester,benzoic acid, pentafluoro-, ethyl ester,ethylpentafluorobenzoate,acmc-1ajj1,rarechem al bi 0017,perfluorobenzoic acid ethyl ester
IUPAC Name ethyl 2,3,4,5,6-pentafluorobenzoate
InChI Key DFUDMSIRGGTHGI-UHFFFAOYSA-N
Molecular Formula C9H5F5O2
9,471

2,2'-Ethylenedioxydiphenol 98.0+%, TCI America™
SDP

CAS: 20115-81-5 Molecular Formula: C14H14O4 Molecular Weight (g/mol): 246.262 MDL Number: MFCD00441177 InChI Key: PRYNAEBLJBDWPF-UHFFFAOYSA-N Synonym: 1,2-Bis(2-hydroxyphenoxy)ethane, Ethylene Glycol Bis(2-hydroxyphenyl) Ether PubChem CID: 5171332 IUPAC Name: 2-[2-(2-hydroxyphenoxy)ethoxy]phenol SMILES: C1=CC=C(C(=C1)O)OCCOC2=CC=CC=C2O

PubChem CID 5171332
CAS 20115-81-5
Molecular Weight (g/mol) 246.262
MDL Number MFCD00441177
SMILES C1=CC=C(C(=C1)O)OCCOC2=CC=CC=C2O
Synonym 1,2-Bis(2-hydroxyphenoxy)ethane, Ethylene Glycol Bis(2-hydroxyphenyl) Ether
IUPAC Name 2-[2-(2-hydroxyphenoxy)ethoxy]phenol
InChI Key PRYNAEBLJBDWPF-UHFFFAOYSA-N
Molecular Formula C14H14O4
9,472

Tris(4-aminophenyl)methane 97.0+%, TCI America™
SDP

CAS: 548-61-8 Molecular Formula: C19H19N3 Molecular Weight (g/mol): 289.382 MDL Number: MFCD00137820 InChI Key: ADUMIBSPEHFSLA-UHFFFAOYSA-N Synonym: 4,4′,4′′-Methanetriyltrianiline, Leucopararosaniline PubChem CID: 68356 IUPAC Name: 4-[bis(4-aminophenyl)methyl]aniline SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)N

PubChem CID 68356
CAS 548-61-8
Molecular Weight (g/mol) 289.382
MDL Number MFCD00137820
SMILES C1=CC(=CC=C1C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)N
Synonym 4,4′,4′′-Methanetriyltrianiline, Leucopararosaniline
IUPAC Name 4-[bis(4-aminophenyl)methyl]aniline
InChI Key ADUMIBSPEHFSLA-UHFFFAOYSA-N
Molecular Formula C19H19N3
9,473

3-Cyanobenzoic Acid 98.0+%, TCI America™
SDP

CAS: 1877-72-1 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00002486 InChI Key: GYLKKXHEIIFTJH-UHFFFAOYSA-N Synonym: m-cyanobenzoic acid,benzoic acid, 3-cyano,3-carboxybenzonitrile,3-cyano-benzoic acid,3-cyanobenzoicacid,benzoic acid, m-cyano,unii-d2gc692d78,3-cyano-benzoicacid,m-carboxybenzonitrile,3-cyano benzoic acid PubChem CID: 15875 IUPAC Name: 3-cyanobenzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C#N

PubChem CID 15875
CAS 1877-72-1
Molecular Weight (g/mol) 147.133
MDL Number MFCD00002486
SMILES C1=CC(=CC(=C1)C(=O)O)C#N
Synonym m-cyanobenzoic acid,benzoic acid, 3-cyano,3-carboxybenzonitrile,3-cyano-benzoic acid,3-cyanobenzoicacid,benzoic acid, m-cyano,unii-d2gc692d78,3-cyano-benzoicacid,m-carboxybenzonitrile,3-cyano benzoic acid
IUPAC Name 3-cyanobenzoic acid
InChI Key GYLKKXHEIIFTJH-UHFFFAOYSA-N
Molecular Formula C8H5NO2
9,474

2,3-Dichloro-1,4-naphthoquinone 95.0+%, TCI America™
SDP

CAS: 117-80-6 Molecular Formula: C10H4Cl2O2 Molecular Weight (g/mol): 227.04 MDL Number: MFCD00001677 InChI Key: SVPKNMBRVBMTLB-UHFFFAOYSA-N Synonym: 2,3-dichloro-1,4-naphthoquinone,dichlone,diclone,2,3-dichloronaphthoquinone,phygon,algistat,sanquinon,uniroyal,phygon paste,dichloronaphthoquinone PubChem CID: 8342 IUPAC Name: 2,3-dichloro-1,4-dihydronaphthalene-1,4-dione SMILES: ClC1=C(Cl)C(=O)C2=CC=CC=C2C1=O

PubChem CID 8342
CAS 117-80-6
Molecular Weight (g/mol) 227.04
MDL Number MFCD00001677
SMILES ClC1=C(Cl)C(=O)C2=CC=CC=C2C1=O
Synonym 2,3-dichloro-1,4-naphthoquinone,dichlone,diclone,2,3-dichloronaphthoquinone,phygon,algistat,sanquinon,uniroyal,phygon paste,dichloronaphthoquinone
IUPAC Name 2,3-dichloro-1,4-dihydronaphthalene-1,4-dione
InChI Key SVPKNMBRVBMTLB-UHFFFAOYSA-N
Molecular Formula C10H4Cl2O2
9,475

4-Nitro-2-(trifluoromethyl)benzonitrile 98.0+%, TCI America™
SDP

CAS: 320-47-8 Molecular Formula: C8H3F3N2O2 Molecular Weight (g/mol): 216.119 MDL Number: MFCD01075729 InChI Key: AGKQJEFSEQHGTA-UHFFFAOYSA-N Synonym: 4-nitro-2-trifluoromethyl benzonitrile,2-cyano-5-nitrobenzotrifluoride,2-trifluoromethyl-4-nitrobenzonitrile,benzonitrile, 4-nitro-2-trifluoromethyl,4-nitro-2-trifluoromethyl benzenecarbonitrile,pubchem4821,acmc-1ctuy,buttpark 91\04-59,4-cyano-3-trifluoromethyl nitrobenzene PubChem CID: 2775783 IUPAC Name: 4-nitro-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)C#N

PubChem CID 2775783
CAS 320-47-8
Molecular Weight (g/mol) 216.119
MDL Number MFCD01075729
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)C#N
Synonym 4-nitro-2-trifluoromethyl benzonitrile,2-cyano-5-nitrobenzotrifluoride,2-trifluoromethyl-4-nitrobenzonitrile,benzonitrile, 4-nitro-2-trifluoromethyl,4-nitro-2-trifluoromethyl benzenecarbonitrile,pubchem4821,acmc-1ctuy,buttpark 91\04-59,4-cyano-3-trifluoromethyl nitrobenzene
IUPAC Name 4-nitro-2-(trifluoromethyl)benzonitrile
InChI Key AGKQJEFSEQHGTA-UHFFFAOYSA-N
Molecular Formula C8H3F3N2O2
9,476

1-Phenyl-2-propanol 98.0+%, TCI America™
SDP

CAS: 698-87-3 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00004540 InChI Key: WYTRYIUQUDTGSX-UHFFFAOYNA-N Synonym: Benzylmethylcarbinol PubChem CID: 94185 IUPAC Name: 1-phenylpropan-2-ol SMILES: CC(O)CC1=CC=CC=C1

PubChem CID 94185
CAS 698-87-3
Molecular Weight (g/mol) 136.19
MDL Number MFCD00004540
SMILES CC(O)CC1=CC=CC=C1
Synonym Benzylmethylcarbinol
IUPAC Name 1-phenylpropan-2-ol
InChI Key WYTRYIUQUDTGSX-UHFFFAOYNA-N
Molecular Formula C9H12O
9,477

1,2,4,5-Tetrafluorobenzene 99.0+%, TCI America™
SDP

CAS: 327-54-8 Molecular Formula: C6H2F4 Molecular Weight (g/mol): 150.076 MDL Number: MFCD00000307 InChI Key: SDXUIOOHCIQXRP-UHFFFAOYSA-N Synonym: benzene, 1,2,4,5-tetrafluoro,2,3,5,6-tetrafluorobenzene,pubchem1063,acmc-209hvc,1,4,5-tetrafluorobenzene,2,5,6-tetrafluorobenzene,2,3,5,6-tetrafluorophenyl,ksc496i2b,benzene,2,4,5-tetrafluoro,1,2,4,5-tetrafluoro-benzene PubChem CID: 9474 IUPAC Name: 1,2,4,5-tetrafluorobenzene SMILES: C1=C(C(=CC(=C1F)F)F)F

PubChem CID 9474
CAS 327-54-8
Molecular Weight (g/mol) 150.076
MDL Number MFCD00000307
SMILES C1=C(C(=CC(=C1F)F)F)F
Synonym benzene, 1,2,4,5-tetrafluoro,2,3,5,6-tetrafluorobenzene,pubchem1063,acmc-209hvc,1,4,5-tetrafluorobenzene,2,5,6-tetrafluorobenzene,2,3,5,6-tetrafluorophenyl,ksc496i2b,benzene,2,4,5-tetrafluoro,1,2,4,5-tetrafluoro-benzene
IUPAC Name 1,2,4,5-tetrafluorobenzene
InChI Key SDXUIOOHCIQXRP-UHFFFAOYSA-N
Molecular Formula C6H2F4
9,478

2,2'-Methylenebis(4-methylphenol) 90.0+%, TCI America™
SDP

CAS: 3236-63-3 Molecular Formula: C15H16O2 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00155176 InChI Key: XZXYQEHISUMZAT-UHFFFAOYSA-N PubChem CID: 76715 IUPAC Name: 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol SMILES: CC1=CC=C(O)C(CC2=CC(C)=CC=C2O)=C1

PubChem CID 76715
CAS 3236-63-3
Molecular Weight (g/mol) 228.29
MDL Number MFCD00155176
SMILES CC1=CC=C(O)C(CC2=CC(C)=CC=C2O)=C1
IUPAC Name 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
InChI Key XZXYQEHISUMZAT-UHFFFAOYSA-N
Molecular Formula C15H16O2
9,479

3,5-Difluorobenzylamine 98.0+%, TCI America™
SDP

CAS: 90390-27-5 Molecular Formula: C7H7F2N Molecular Weight (g/mol): 143.14 MDL Number: MFCD00061244 InChI Key: VJNGGOMRUHYAMC-UHFFFAOYSA-N Synonym: 3,5-difluorobenzylamine,3,5-difluorophenyl methanamine,benzenemethanamine, 3,5-difluoro,1-3,5-difluorophenyl methanamine,3,5-difluorobenzyl amine,3,5-difluorophenyl methylamine,3, 5-difluorobenzylamine,pubchem4409,3,5-difluoro-benzylamine,3,5-difluoro-benzyl amine PubChem CID: 145211 IUPAC Name: 1-(3,5-difluorophenyl)methanamine SMILES: NCC1=CC(F)=CC(F)=C1

PubChem CID 145211
CAS 90390-27-5
Molecular Weight (g/mol) 143.14
MDL Number MFCD00061244
SMILES NCC1=CC(F)=CC(F)=C1
Synonym 3,5-difluorobenzylamine,3,5-difluorophenyl methanamine,benzenemethanamine, 3,5-difluoro,1-3,5-difluorophenyl methanamine,3,5-difluorobenzyl amine,3,5-difluorophenyl methylamine,3, 5-difluorobenzylamine,pubchem4409,3,5-difluoro-benzylamine,3,5-difluoro-benzyl amine
IUPAC Name 1-(3,5-difluorophenyl)methanamine
InChI Key VJNGGOMRUHYAMC-UHFFFAOYSA-N
Molecular Formula C7H7F2N
9,480

2,3-Dichlorobenzyl Alcohol 98.0+%, TCI America™
SDP

CAS: 38594-42-2 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.024 MDL Number: MFCD00238581 InChI Key: STVBVTWXWZMRPZ-UHFFFAOYSA-N PubChem CID: 228603 IUPAC Name: (2,3-dichlorophenyl)methanol SMILES: C1=CC(=C(C(=C1)Cl)Cl)CO

PubChem CID 228603
CAS 38594-42-2
Molecular Weight (g/mol) 177.024
MDL Number MFCD00238581
SMILES C1=CC(=C(C(=C1)Cl)Cl)CO
IUPAC Name (2,3-dichlorophenyl)methanol
InChI Key STVBVTWXWZMRPZ-UHFFFAOYSA-N
Molecular Formula C7H6Cl2O