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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 (67,706)
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 (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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2,401 – 2,415 of 78,617 results
2,401

2-Methylbenzylamine, 96%

CAS: 89-93-0 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00008112 InChI Key: CJAAPVQEZPAQNI-UHFFFAOYSA-N Synonym: 2-methylbenzylamine,o-tolylmethanamine,o-methylbenzylamine,benzenemethanamine, 2-methyl,o-xylylamine,benzylamine, o-methyl,2-methylphenyl methanamine,alpha-amino-o-xylene,alpha-amino-2-xylene,1-2-methylphenyl methanamine PubChem CID: 6993 IUPAC Name: (2-methylphenyl)methanamine SMILES: CC1=CC=CC=C1CN

PubChem CID 6993
CAS 89-93-0
Molecular Weight (g/mol) 121.18
MDL Number MFCD00008112
SMILES CC1=CC=CC=C1CN
Synonym 2-methylbenzylamine,o-tolylmethanamine,o-methylbenzylamine,benzenemethanamine, 2-methyl,o-xylylamine,benzylamine, o-methyl,2-methylphenyl methanamine,alpha-amino-o-xylene,alpha-amino-2-xylene,1-2-methylphenyl methanamine
IUPAC Name (2-methylphenyl)methanamine
InChI Key CJAAPVQEZPAQNI-UHFFFAOYSA-N
Molecular Formula C8H11N
2,402

Homovanillic acid, 98%

CAS: 306-08-1 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00004350 InChI Key: QRMZSPFSDQBLIX-UHFFFAOYSA-N Synonym: homovanillic acid,4-hydroxy-3-methoxyphenylacetic acid,2-4-hydroxy-3-methoxyphenyl acetic acid,vanillacetic acid,benzeneacetic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxyphenylacetic acid,homovaniuic acid,4-hydroxy-3-methoxyphenyl acetic acid,homovanillate,4-hydroxy-3-methoxybenzeneacetic acid PubChem CID: 1738 ChEBI: CHEBI:545959 IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)acetic acid SMILES: COC1=C(C=CC(=C1)CC(=O)O)O

PubChem CID 1738
CAS 306-08-1
Molecular Weight (g/mol) 182.18
ChEBI CHEBI:545959
MDL Number MFCD00004350
SMILES COC1=C(C=CC(=C1)CC(=O)O)O
Synonym homovanillic acid,4-hydroxy-3-methoxyphenylacetic acid,2-4-hydroxy-3-methoxyphenyl acetic acid,vanillacetic acid,benzeneacetic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxyphenylacetic acid,homovaniuic acid,4-hydroxy-3-methoxyphenyl acetic acid,homovanillate,4-hydroxy-3-methoxybenzeneacetic acid
IUPAC Name 2-(4-hydroxy-3-methoxyphenyl)acetic acid
InChI Key QRMZSPFSDQBLIX-UHFFFAOYSA-N
Molecular Formula C9H10O4
2,403

(1R,2R)-(-)-N-(4-Toluenesulfonyl)-1,2-diphenylethylenediamine, 98%, Thermo Scientific™

CAS: 144222-34-4 Molecular Formula: C21H23N2O2S Molecular Weight (g/mol): 367.49 MDL Number: MFCD02093428 InChI Key: UOPFIWYXBIHPIP-NHCUHLMSSA-O Synonym: 1r,2r---n-4-toluenesulfonyl-1,2-diphenylethylenediamine,1r,2r---n-p-tosyl-1,2-diphenylethylenediamine,r,r-tsdpen,r,r-n-p-toluenesulfonyl-1,2-diphenylethylenediamine,1r,2r-n-p-tosyl-1,2-diphenylethylenediamine,n-1r,2r-2-amino-1,2-diphenylethyl-4-methylbenzenesulfonamide,r,r-n-2-amino-1,2-diphenylethyl-p-toluenesulfonamide,1r,2r---n-p-tosyl-1,2-diphenylethylene diamine,1r, 2r---n-4-toluene sulfonyl 1,2-diphenyl-1,2-ethane diamine,benzenesulfonamide, n-1r,2r-2-amino-1,2-diphenylethyl-4-methyl PubChem CID: 2734565 IUPAC Name: N-[(1R,2R)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]([C@H]([NH3+])C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 2734565
CAS 144222-34-4
Molecular Weight (g/mol) 367.49
MDL Number MFCD02093428
SMILES CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]([C@H]([NH3+])C1=CC=CC=C1)C1=CC=CC=C1
Synonym 1r,2r---n-4-toluenesulfonyl-1,2-diphenylethylenediamine,1r,2r---n-p-tosyl-1,2-diphenylethylenediamine,r,r-tsdpen,r,r-n-p-toluenesulfonyl-1,2-diphenylethylenediamine,1r,2r-n-p-tosyl-1,2-diphenylethylenediamine,n-1r,2r-2-amino-1,2-diphenylethyl-4-methylbenzenesulfonamide,r,r-n-2-amino-1,2-diphenylethyl-p-toluenesulfonamide,1r,2r---n-p-tosyl-1,2-diphenylethylene diamine,1r, 2r---n-4-toluene sulfonyl 1,2-diphenyl-1,2-ethane diamine,benzenesulfonamide, n-1r,2r-2-amino-1,2-diphenylethyl-4-methyl
IUPAC Name N-[(1R,2R)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide
InChI Key UOPFIWYXBIHPIP-NHCUHLMSSA-O
Molecular Formula C21H23N2O2S
2,404

(4-Bromophenoxy)-tert-butyldimethylsilane, 97%

CAS: 67963-68-2 Molecular Formula: C12H19BrOSi Molecular Weight (g/mol): 287.27 MDL Number: MFCD00239382 InChI Key: DLGZGLKSNRKLSM-UHFFFAOYSA-N Synonym: 4-bromophenoxy tert-butyl dimethylsilane,4-bromophenoxy-tert-butyldimethylsilane,p-bromophenoxy t-butyl dimethylsilane,4-bromophenoxy-tert-butyl-dimethylsilane,1-bromo-4-tert-butyldimethylsiloxy benzene,4-bromophenol tert-butyldimethylsilyl ether,silane, 4-bromophenoxy 1,1-dimethylethyl dimethyl,1-bromo-4-1,1-dimethylethyl dimethylsilyl oxy benzene,acmc-1b8oo PubChem CID: 4227167 IUPAC Name: (4-bromophenoxy)-tert-butyl-dimethylsilane SMILES: CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)Br

PubChem CID 4227167
CAS 67963-68-2
Molecular Weight (g/mol) 287.27
MDL Number MFCD00239382
SMILES CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)Br
Synonym 4-bromophenoxy tert-butyl dimethylsilane,4-bromophenoxy-tert-butyldimethylsilane,p-bromophenoxy t-butyl dimethylsilane,4-bromophenoxy-tert-butyl-dimethylsilane,1-bromo-4-tert-butyldimethylsiloxy benzene,4-bromophenol tert-butyldimethylsilyl ether,silane, 4-bromophenoxy 1,1-dimethylethyl dimethyl,1-bromo-4-1,1-dimethylethyl dimethylsilyl oxy benzene,acmc-1b8oo
IUPAC Name (4-bromophenoxy)-tert-butyl-dimethylsilane
InChI Key DLGZGLKSNRKLSM-UHFFFAOYSA-N
Molecular Formula C12H19BrOSi
2,405

4-Amino-3-bromobenzonitrile, 97%

CAS: 50397-74-5 Molecular Formula: C7H5BrN2 Molecular Weight (g/mol): 197.035 MDL Number: MFCD01861386 InChI Key: POESQIHWIIWNJL-UHFFFAOYSA-N Synonym: 3-bromo-4-aminobenzonitrile,2-bromo-4-cyanoaniline,benzonitrile, 4-amino-3-bromo,4-amino-3-bromo-benzonitrile,4-amino-3-brombenzonitrile,buttpark 35\03-64,4-amino-3-bromobenzenecarbonitrile,pubchem4609,acmc-209klz,4-amino-3-bromobenzonitile PubChem CID: 1515279 IUPAC Name: 4-amino-3-bromobenzonitrile SMILES: C1=CC(=C(C=C1C#N)Br)N

PubChem CID 1515279
CAS 50397-74-5
Molecular Weight (g/mol) 197.035
MDL Number MFCD01861386
SMILES C1=CC(=C(C=C1C#N)Br)N
Synonym 3-bromo-4-aminobenzonitrile,2-bromo-4-cyanoaniline,benzonitrile, 4-amino-3-bromo,4-amino-3-bromo-benzonitrile,4-amino-3-brombenzonitrile,buttpark 35\03-64,4-amino-3-bromobenzenecarbonitrile,pubchem4609,acmc-209klz,4-amino-3-bromobenzonitile
IUPAC Name 4-amino-3-bromobenzonitrile
InChI Key POESQIHWIIWNJL-UHFFFAOYSA-N
Molecular Formula C7H5BrN2
2,406

Thermo Scientific Chemicals 1,2:3,4-Di-O-isopropylidene-D-galactopyranose, 97%

CAS: 4064-06-6 Molecular Formula: C12H20O6 Molecular Weight (g/mol): 260.28 MDL Number: MFCD00063225 InChI Key: POORJMIIHXHXAV-UHFFFAOYNA-N

CAS 4064-06-6
Molecular Weight (g/mol) 260.28
MDL Number MFCD00063225
InChI Key POORJMIIHXHXAV-UHFFFAOYNA-N
Molecular Formula C12H20O6
2,407

4-(2-furyl)benzaldehyde, Thermo Scientific™

CAS: 60456-77-1 Molecular Formula: C11H8O2 Molecular Weight (g/mol): 172.183 InChI Key: WBUXKMOCVYRVES-UHFFFAOYSA-N Synonym: 4-2-furyl benzaldehyde,4-furan-2-yl benzaldehyde,4-furan-2-yl-benzaldehyde,benzaldehyde,4-2-furanyl,2-4-formylphenyl furan,4-2-furanyl benzaldehyde PubChem CID: 2772295 IUPAC Name: 4-(furan-2-yl)benzaldehyde SMILES: C1=COC(=C1)C2=CC=C(C=C2)C=O

PubChem CID 2772295
CAS 60456-77-1
Molecular Weight (g/mol) 172.183
SMILES C1=COC(=C1)C2=CC=C(C=C2)C=O
Synonym 4-2-furyl benzaldehyde,4-furan-2-yl benzaldehyde,4-furan-2-yl-benzaldehyde,benzaldehyde,4-2-furanyl,2-4-formylphenyl furan,4-2-furanyl benzaldehyde
IUPAC Name 4-(furan-2-yl)benzaldehyde
InChI Key WBUXKMOCVYRVES-UHFFFAOYSA-N
Molecular Formula C11H8O2
2,408

3-(3-Bromophenyl)-1-methyl-1H-pyrazole, 97%, Thermo Scientific™

CAS: 425379-68-6 Molecular Formula: C10H9BrN2 Molecular Weight (g/mol): 237.10 MDL Number: MFCD09065008 InChI Key: PNVHBUUFMMMKBR-UHFFFAOYSA-N Synonym: 3-3-bromophenyl-1-methyl-1h-pyrazole,3-3-bromophenyl-1-methylpyrazole,1h-pyrazole,3-3-bromophenyl-1-methyl PubChem CID: 22329555 IUPAC Name: 3-(3-bromophenyl)-1-methylpyrazole SMILES: CN1C=CC(=N1)C1=CC(Br)=CC=C1

PubChem CID 22329555
CAS 425379-68-6
Molecular Weight (g/mol) 237.10
MDL Number MFCD09065008
SMILES CN1C=CC(=N1)C1=CC(Br)=CC=C1
Synonym 3-3-bromophenyl-1-methyl-1h-pyrazole,3-3-bromophenyl-1-methylpyrazole,1h-pyrazole,3-3-bromophenyl-1-methyl
IUPAC Name 3-(3-bromophenyl)-1-methylpyrazole
InChI Key PNVHBUUFMMMKBR-UHFFFAOYSA-N
Molecular Formula C10H9BrN2
2,409

4,4'-Bis(dimethylamino)benzophenone, 98%

CAS: 90-94-8 Molecular Formula: C17H20N2O Molecular Weight (g/mol): 268.36 MDL Number: MFCD00008312 InChI Key: VVBLNCFGVYUYGU-UHFFFAOYSA-N Synonym: michler's ketone,4,4'-bis dimethylamino benzophenone,michler ketone,bis 4-dimethylamino phenyl methanone,p,p'-michler's ketone,michlers ketone,methanone, bis 4-dimethylamino phenyl,tetramethyldiaminobenzophenone,p,p'-bis dimethylamino benzophenone PubChem CID: 7031 ChEBI: CHEBI:82347 IUPAC Name: bis[4-(dimethylamino)phenyl]methanone SMILES: CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C

PubChem CID 7031
CAS 90-94-8
Molecular Weight (g/mol) 268.36
ChEBI CHEBI:82347
MDL Number MFCD00008312
SMILES CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C
Synonym michler's ketone,4,4'-bis dimethylamino benzophenone,michler ketone,bis 4-dimethylamino phenyl methanone,p,p'-michler's ketone,michlers ketone,methanone, bis 4-dimethylamino phenyl,tetramethyldiaminobenzophenone,p,p'-bis dimethylamino benzophenone
IUPAC Name bis[4-(dimethylamino)phenyl]methanone
InChI Key VVBLNCFGVYUYGU-UHFFFAOYSA-N
Molecular Formula C17H20N2O
2,410

4-Aminohippuric acid, 99%

CAS: 61-78-9 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00007890 InChI Key: HSMNQINEKMPTIC-UHFFFAOYSA-N Synonym: 4-aminohippuric acid,aminohippuric acid,p-aminohippuric acid,paha,glycine, n-4-aminobenzoyl,n-4-aminobenzoyl glycine,para-aminohippuric acid,aminohippurate,nefrotest,n-p-aminobenzoyl glycine PubChem CID: 2148 ChEBI: CHEBI:104011 IUPAC Name: 2-[(4-aminobenzoyl)amino]acetic acid SMILES: C1=CC(=CC=C1C(=O)NCC(=O)O)N

PubChem CID 2148
CAS 61-78-9
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:104011
MDL Number MFCD00007890
SMILES C1=CC(=CC=C1C(=O)NCC(=O)O)N
Synonym 4-aminohippuric acid,aminohippuric acid,p-aminohippuric acid,paha,glycine, n-4-aminobenzoyl,n-4-aminobenzoyl glycine,para-aminohippuric acid,aminohippurate,nefrotest,n-p-aminobenzoyl glycine
IUPAC Name 2-[(4-aminobenzoyl)amino]acetic acid
InChI Key HSMNQINEKMPTIC-UHFFFAOYSA-N
2,411

1-Bromo-4-nitrobenzene, 98%

CAS: 586-78-7 Molecular Formula: C6H4BrNO2 Molecular Weight (g/mol): 202.01 MDL Number: MFCD00007280 InChI Key: ZDFBKZUDCQQKAC-UHFFFAOYSA-N Synonym: 4-bromonitrobenzene,4-nitrobromobenzene,p-bromonitrobenzene,benzene, 1-bromo-4-nitro,p-nitrobromobenzene,4-nitrophenyl bromide,4-bromo-1-nitrobenzene,p-nitrophenyl bromide,1-bromo-4-nitro-benzene,ccris 3115 PubChem CID: 11466 IUPAC Name: 1-bromo-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(Br)C=C1

PubChem CID 11466
CAS 586-78-7
Molecular Weight (g/mol) 202.01
MDL Number MFCD00007280
SMILES [O-][N+](=O)C1=CC=C(Br)C=C1
Synonym 4-bromonitrobenzene,4-nitrobromobenzene,p-bromonitrobenzene,benzene, 1-bromo-4-nitro,p-nitrobromobenzene,4-nitrophenyl bromide,4-bromo-1-nitrobenzene,p-nitrophenyl bromide,1-bromo-4-nitro-benzene,ccris 3115
IUPAC Name 1-bromo-4-nitrobenzene
InChI Key ZDFBKZUDCQQKAC-UHFFFAOYSA-N
Molecular Formula C6H4BrNO2
2,412

4-Trifluoromethylphenylboronic acid, 98%, Thermo Scientific Chemicals

CAS: 128796-39-4 Molecular Formula: C7H6BF3O2 Molecular Weight (g/mol): 189.93 MDL Number: MFCD00151855 InChI Key: ALMFIOZYDASRRC-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenylboronic acid,4-trifluoromethylphenylboronic acid,4-trifluoromethyl benzeneboronic acid,4-trifluoromethyl phenyl boronic acid,4-trifluoromethylphenyl boronic acid,4-trifluoromethyl phenyl boranediol,4-boronobenzotrifluoride,p-trifluoromethyl phenylboronic acid,4-trifluoromethylphenyl-boronic acid PubChem CID: 2734389 IUPAC Name: [4-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=C(C=C1)C(F)(F)F

PubChem CID 2734389
CAS 128796-39-4
Molecular Weight (g/mol) 189.93
MDL Number MFCD00151855
SMILES OB(O)C1=CC=C(C=C1)C(F)(F)F
Synonym 4-trifluoromethyl phenylboronic acid,4-trifluoromethylphenylboronic acid,4-trifluoromethyl benzeneboronic acid,4-trifluoromethyl phenyl boronic acid,4-trifluoromethylphenyl boronic acid,4-trifluoromethyl phenyl boranediol,4-boronobenzotrifluoride,p-trifluoromethyl phenylboronic acid,4-trifluoromethylphenyl-boronic acid
IUPAC Name [4-(trifluoromethyl)phenyl]boronic acid
InChI Key ALMFIOZYDASRRC-UHFFFAOYSA-N
Molecular Formula C7H6BF3O2
2,413

Benzyltriethylammonium bromide, 99%

CAS: 5197-95-5 Molecular Formula: C13H22BrN Molecular Weight (g/mol): 272.23 MDL Number: MFCD00011822 InChI Key: CHQVQXZFZHACQQ-UHFFFAOYSA-M Synonym: benzyltriethylammonium bromide,n-benzyl-n,n-diethylethanaminium bromide,benzyl triethyl ammonium bromide,triethylbenzylammonium bromide,bteab,benzenemethanaminium, n,n,n-triethyl-, bromide,benzyltriethyl ammonium bromide,n-benzyl-n,n,n-triethylammoniumbromide,benzyltriethylazanium bromide,pubchem7797 PubChem CID: 165294 IUPAC Name: benzyl(triethyl)azanium;bromide SMILES: [Br-].CC[N+](CC)(CC)CC1=CC=CC=C1

PubChem CID 165294
CAS 5197-95-5
Molecular Weight (g/mol) 272.23
MDL Number MFCD00011822
SMILES [Br-].CC[N+](CC)(CC)CC1=CC=CC=C1
Synonym benzyltriethylammonium bromide,n-benzyl-n,n-diethylethanaminium bromide,benzyl triethyl ammonium bromide,triethylbenzylammonium bromide,bteab,benzenemethanaminium, n,n,n-triethyl-, bromide,benzyltriethyl ammonium bromide,n-benzyl-n,n,n-triethylammoniumbromide,benzyltriethylazanium bromide,pubchem7797
IUPAC Name benzyl(triethyl)azanium;bromide
InChI Key CHQVQXZFZHACQQ-UHFFFAOYSA-M
Molecular Formula C13H22BrN
2,414

4-Hydroxyphenethyl alcohol, 98%

CAS: 501-94-0 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00002902 InChI Key: YCCILVSKPBXVIP-UHFFFAOYSA-N Synonym: tyrosol,2-4-hydroxyphenyl ethanol,4-hydroxyphenethyl alcohol,4-2-hydroxyethyl phenol,4-hydroxyphenylethanol,4-hydroxybenzeneethanol,p-hydroxyphenethyl alcohol,benzeneethanol, 4-hydroxy,p-tyrosol,p-hydroxyphenylethanol PubChem CID: 10393 ChEBI: CHEBI:1879 IUPAC Name: 4-(2-hydroxyethyl)phenol SMILES: C1=CC(=CC=C1CCO)O

PubChem CID 10393
CAS 501-94-0
Molecular Weight (g/mol) 138.17
ChEBI CHEBI:1879
MDL Number MFCD00002902
SMILES C1=CC(=CC=C1CCO)O
Synonym tyrosol,2-4-hydroxyphenyl ethanol,4-hydroxyphenethyl alcohol,4-2-hydroxyethyl phenol,4-hydroxyphenylethanol,4-hydroxybenzeneethanol,p-hydroxyphenethyl alcohol,benzeneethanol, 4-hydroxy,p-tyrosol,p-hydroxyphenylethanol
IUPAC Name 4-(2-hydroxyethyl)phenol
InChI Key YCCILVSKPBXVIP-UHFFFAOYSA-N
Molecular Formula C8H10O2
2,415

4-Methoxybenzyl alcohol, 98%

CAS: 105-13-5 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004653 InChI Key: MSHFRERJPWKJFX-UHFFFAOYSA-N Synonym: 4-methoxybenzyl alcohol,4-methoxyphenyl methanol,anise alcohol,anisyl alcohol,p-anisyl alcohol,p-methoxybenzyl alcohol,benzenemethanol, 4-methoxy,anisic alcohol,p-anisol alcohol,4-methoxybenzenemethanol PubChem CID: 7738 ChEBI: CHEBI:86918 IUPAC Name: (4-methoxyphenyl)methanol SMILES: COC1=CC=C(CO)C=C1

PubChem CID 7738
CAS 105-13-5
Molecular Weight (g/mol) 138.17
ChEBI CHEBI:86918
MDL Number MFCD00004653
SMILES COC1=CC=C(CO)C=C1
Synonym 4-methoxybenzyl alcohol,4-methoxyphenyl methanol,anise alcohol,anisyl alcohol,p-anisyl alcohol,p-methoxybenzyl alcohol,benzenemethanol, 4-methoxy,anisic alcohol,p-anisol alcohol,4-methoxybenzenemethanol
IUPAC Name (4-methoxyphenyl)methanol
InChI Key MSHFRERJPWKJFX-UHFFFAOYSA-N
Molecular Formula C8H10O2