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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 (64,928)
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Unsubstituted Phenols (1,173)
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Phenol esters (426)
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1-hydroxylamino 2-unsubstituted benzenoids (5)

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4,171 – 4,185 of 73,813 results
4,171

Methyl 3-(trifluoromethyl)phenylacetate, 97%, Thermo Scientific™

CAS: 62451-84-7 Molecular Formula: C10H9F3O2 Molecular Weight (g/mol): 218.17 MDL Number: MFCD04039762 InChI Key: GMEBDKGPPKAPEM-UHFFFAOYSA-N PubChem CID: 2734603 IUPAC Name: methyl 2-[3-(trifluoromethyl)phenyl]acetate SMILES: COC(=O)CC1=CC(=CC=C1)C(F)(F)F

PubChem CID 2734603
CAS 62451-84-7
Molecular Weight (g/mol) 218.17
MDL Number MFCD04039762
SMILES COC(=O)CC1=CC(=CC=C1)C(F)(F)F
IUPAC Name methyl 2-[3-(trifluoromethyl)phenyl]acetate
InChI Key GMEBDKGPPKAPEM-UHFFFAOYSA-N
Molecular Formula C10H9F3O2
4,172

Triphenylmethane, 98%

CAS: 519-73-3 Molecular Formula: C19H16 Molecular Weight (g/mol): 244.34 MDL Number: MFCD00004763 InChI Key: AAAQKTZKLRYKHR-UHFFFAOYSA-N Synonym: triphenylmethane,tritane,benzene, 1,1',1-methylidynetris,methane, triphenyl,diphenylmethyl benzene,1,1',1-methanetriyltribenzene,unii-8o4utw9e17,ccris 5194,triphenyl methane,triphenylmethane? PubChem CID: 10614 ChEBI: CHEBI:76212 IUPAC Name: benzhydrylbenzene SMILES: C1=CC=C(C=C1)C(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 10614
CAS 519-73-3
Molecular Weight (g/mol) 244.34
ChEBI CHEBI:76212
MDL Number MFCD00004763
SMILES C1=CC=C(C=C1)C(C1=CC=CC=C1)C1=CC=CC=C1
Synonym triphenylmethane,tritane,benzene, 1,1',1-methylidynetris,methane, triphenyl,diphenylmethyl benzene,1,1',1-methanetriyltribenzene,unii-8o4utw9e17,ccris 5194,triphenyl methane,triphenylmethane?
IUPAC Name benzhydrylbenzene
InChI Key AAAQKTZKLRYKHR-UHFFFAOYSA-N
Molecular Formula C19H16
4,173

4-Hydroxy-2-methylbenzoic acid, 98%, Thermo Scientific Chemicals

CAS: 578-39-2 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD02182261 InChI Key: BBMFSGOFUHEVNP-UHFFFAOYSA-N Synonym: 4-hydroxy-o-toluic acid,4,2-cresotic acid,2-methyl-4-hydroxybenzoic acid,4-hydroxy-2-methyl-benzoic acid,benzoic acid, 4-hydroxy-2-methyl,2-methyl-4-hydroxybenzoicacid,acmc-209m0q,methyl p-hydroxybenzoic acid,ksc494s9j,4-hydroxy-2-methylbenzoicacid PubChem CID: 68475 IUPAC Name: 4-hydroxy-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)O)C(=O)O

PubChem CID 68475
CAS 578-39-2
Molecular Weight (g/mol) 152.149
MDL Number MFCD02182261
SMILES CC1=C(C=CC(=C1)O)C(=O)O
Synonym 4-hydroxy-o-toluic acid,4,2-cresotic acid,2-methyl-4-hydroxybenzoic acid,4-hydroxy-2-methyl-benzoic acid,benzoic acid, 4-hydroxy-2-methyl,2-methyl-4-hydroxybenzoicacid,acmc-209m0q,methyl p-hydroxybenzoic acid,ksc494s9j,4-hydroxy-2-methylbenzoicacid
IUPAC Name 4-hydroxy-2-methylbenzoic acid
InChI Key BBMFSGOFUHEVNP-UHFFFAOYSA-N
Molecular Formula C8H8O3
4,174

4-Nitrophenyl acetate, 97%

CAS: 830-03-5 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007326 InChI Key: QAUUDNIGJSLPSX-UHFFFAOYSA-N Synonym: p-nitrophenyl acetate,p-acetoxynitrobenzene,acetic acid, 4-nitrophenyl ester,p-nitrophenol acetate,acetic acid p-nitrophenyl ester,acetic acid, p-nitrophenyl ester,p-nitrophenyl acetate van,4-nitrophenyl acetate,unii-i902j0qh9s,acetic acid 4-nitrophenyl ester PubChem CID: 13243 ChEBI: CHEBI:82635 IUPAC Name: (4-nitrophenyl) acetate SMILES: CC(=O)OC1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 13243
CAS 830-03-5
Molecular Weight (g/mol) 181.15
ChEBI CHEBI:82635
MDL Number MFCD00007326
SMILES CC(=O)OC1=CC=C(C=C1)[N+]([O-])=O
Synonym p-nitrophenyl acetate,p-acetoxynitrobenzene,acetic acid, 4-nitrophenyl ester,p-nitrophenol acetate,acetic acid p-nitrophenyl ester,acetic acid, p-nitrophenyl ester,p-nitrophenyl acetate van,4-nitrophenyl acetate,unii-i902j0qh9s,acetic acid 4-nitrophenyl ester
IUPAC Name (4-nitrophenyl) acetate
InChI Key QAUUDNIGJSLPSX-UHFFFAOYSA-N
Molecular Formula C8H7NO4
4,175

2-Amino-4-methylphenol, 98%

CAS: 95-84-1 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD00007699 InChI Key: ZMXYNJXDULEQCK-UHFFFAOYSA-N Synonym: 2-amino-p-cresol,2-hydroxy-5-methylaniline,phenol, 2-amino-4-methyl,3-amino-4-hydroxytoluene,6-hydroxy-m-toluidine,4-methyl-2-aminophenol,5-methyl-2-hydroxyaniline,2-amino-4-cresol,p-cresol, 2-amino,2-amino-4-methyl-phenol PubChem CID: 7264 IUPAC Name: 2-amino-4-methylphenol SMILES: CC1=CC=C(O)C(N)=C1

PubChem CID 7264
CAS 95-84-1
Molecular Weight (g/mol) 123.16
MDL Number MFCD00007699
SMILES CC1=CC=C(O)C(N)=C1
Synonym 2-amino-p-cresol,2-hydroxy-5-methylaniline,phenol, 2-amino-4-methyl,3-amino-4-hydroxytoluene,6-hydroxy-m-toluidine,4-methyl-2-aminophenol,5-methyl-2-hydroxyaniline,2-amino-4-cresol,p-cresol, 2-amino,2-amino-4-methyl-phenol
IUPAC Name 2-amino-4-methylphenol
InChI Key ZMXYNJXDULEQCK-UHFFFAOYSA-N
Molecular Formula C7H9NO
4,176

2,6-Di-tert-butylphenol, 99%

CAS: 128-39-2 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.33 MDL Number: MFCD00008820 InChI Key: DKCPKDPYUFEZCP-UHFFFAOYSA-N Synonym: 2,6-di-tert-butylphenol,2,6-di-t-butylphenol,2,6-bis tert-butyl phenol,2,6-bis 1,1-dimethylethyl phenol,phenol, 2,6-bis 1,1-dimethylethyl,2,6 di-tert-butylphenol,ethanox 701,isonox 103,ethyl 701,ethyl an 701 PubChem CID: 31405 IUPAC Name: 2,6-ditert-butylphenol SMILES: CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C

PubChem CID 31405
CAS 128-39-2
Molecular Weight (g/mol) 206.33
MDL Number MFCD00008820
SMILES CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C
Synonym 2,6-di-tert-butylphenol,2,6-di-t-butylphenol,2,6-bis tert-butyl phenol,2,6-bis 1,1-dimethylethyl phenol,phenol, 2,6-bis 1,1-dimethylethyl,2,6 di-tert-butylphenol,ethanox 701,isonox 103,ethyl 701,ethyl an 701
IUPAC Name 2,6-ditert-butylphenol
InChI Key DKCPKDPYUFEZCP-UHFFFAOYSA-N
Molecular Formula C14H22O
4,177

1-Bromo-3-fluoro-4-iodobenzene, 99+%

CAS: 105931-73-5 Molecular Formula: C6H3BrFI Molecular Weight (g/mol): 300.90 MDL Number: MFCD00010608 InChI Key: XRMZKCQCINEBEI-UHFFFAOYSA-N Synonym: 1-bromo-3-fluoro-4-iodobenzene,3-fluoro-4-iodobromobenzene,2-fluoro-4-bromoiodobenzene,4-bromo-2-fluoroiodobenzene,4-bromo-2-fluoro-1-iodo-benzene,benzene, 4-bromo-2-fluoro-1-iodo,pubchem3232,acmc-2098hz,2-fluoro-4-bromo iodobenzene,3-fluoro-4-iodo-bromobenzene PubChem CID: 2724516 IUPAC Name: 4-bromo-2-fluoro-1-iodobenzene SMILES: FC1=C(I)C=CC(Br)=C1

PubChem CID 2724516
CAS 105931-73-5
Molecular Weight (g/mol) 300.90
MDL Number MFCD00010608
SMILES FC1=C(I)C=CC(Br)=C1
Synonym 1-bromo-3-fluoro-4-iodobenzene,3-fluoro-4-iodobromobenzene,2-fluoro-4-bromoiodobenzene,4-bromo-2-fluoroiodobenzene,4-bromo-2-fluoro-1-iodo-benzene,benzene, 4-bromo-2-fluoro-1-iodo,pubchem3232,acmc-2098hz,2-fluoro-4-bromo iodobenzene,3-fluoro-4-iodo-bromobenzene
IUPAC Name 4-bromo-2-fluoro-1-iodobenzene
InChI Key XRMZKCQCINEBEI-UHFFFAOYSA-N
Molecular Formula C6H3BrFI
4,178

Phenyl carbamate, 98+%

CAS: 622-46-8 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00007961 InChI Key: BSCCSDNZEIHXOK-UHFFFAOYSA-N Synonym: carbamic acid, phenyl ester,phenol carbamate,carbamic acid phenyl ester,unii-jkb257u27v,o-phenyl carbamate,ccris 5071,phenyl aminooate,mono-phenylcarbamate,mono-phenol carbamate,phenyl carbamate PubChem CID: 69322 IUPAC Name: phenyl carbamate SMILES: C1=CC=C(C=C1)OC(=O)N

PubChem CID 69322
CAS 622-46-8
Molecular Weight (g/mol) 137.138
MDL Number MFCD00007961
SMILES C1=CC=C(C=C1)OC(=O)N
Synonym carbamic acid, phenyl ester,phenol carbamate,carbamic acid phenyl ester,unii-jkb257u27v,o-phenyl carbamate,ccris 5071,phenyl aminooate,mono-phenylcarbamate,mono-phenol carbamate,phenyl carbamate
IUPAC Name phenyl carbamate
InChI Key BSCCSDNZEIHXOK-UHFFFAOYSA-N
Molecular Formula C7H7NO2
4,179

Diiodobis(triphenylphosphine)nickel(II)

CAS: 82308-17-6 Molecular Formula: C36H30I2NiP2 Molecular Weight (g/mol): 837.09 MDL Number: MFCD00015866 InChI Key: CRLSSYRKSIEFOQ-UHFFFAOYSA-L Synonym: diiododbis triphenylphosphinenickel ii,diiodobis triphenylphosphine nickel ii,nii2 pph3 2,diiodonickel; triphenylphosphane PubChem CID: 6102125 IUPAC Name: diiodonickel;triphenylphosphane SMILES: I[Ni++]I.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 6102125
CAS 82308-17-6
Molecular Weight (g/mol) 837.09
MDL Number MFCD00015866
SMILES I[Ni++]I.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym diiododbis triphenylphosphinenickel ii,diiodobis triphenylphosphine nickel ii,nii2 pph3 2,diiodonickel; triphenylphosphane
IUPAC Name diiodonickel;triphenylphosphane
InChI Key CRLSSYRKSIEFOQ-UHFFFAOYSA-L
Molecular Formula C36H30I2NiP2
4,180

5-Bromo-3-nitrosalicylaldehyde, 97%

CAS: 16634-88-1 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00130110 InChI Key: YEYPSUQQZNDKDE-UHFFFAOYSA-N Synonym: 5-bromo-2-hydroxy-3-nitrobenzaldehyde,5-bromo-3-nitrosalicylaldehyde,benzaldehyde, 5-bromo-2-hydroxy-3-nitro,3-nitro-5-bromosalicylaldehyde,benzaldehyde,5-bromo-2-hydroxy-3-nitro,salicylaldehyde, 5-bromo-3-nitro,acmc-209du3,5-bromo-3-nitrosalicyladehyde,2-hydroxy-3-nitro-5-bromobenzaldehyde PubChem CID: 618699 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C=O)Br

PubChem CID 618699
CAS 16634-88-1
Molecular Weight (g/mol) 246.016
MDL Number MFCD00130110
SMILES C1=C(C=C(C(=C1[N+](=O)[O-])O)C=O)Br
Synonym 5-bromo-2-hydroxy-3-nitrobenzaldehyde,5-bromo-3-nitrosalicylaldehyde,benzaldehyde, 5-bromo-2-hydroxy-3-nitro,3-nitro-5-bromosalicylaldehyde,benzaldehyde,5-bromo-2-hydroxy-3-nitro,salicylaldehyde, 5-bromo-3-nitro,acmc-209du3,5-bromo-3-nitrosalicyladehyde,2-hydroxy-3-nitro-5-bromobenzaldehyde
InChI Key YEYPSUQQZNDKDE-UHFFFAOYSA-N
Molecular Formula C7H4BrNO4
4,181

4-Chlorophenol, 99%

CAS: 106-48-9 Molecular Formula: C6H5ClO Molecular Weight (g/mol): 128.555 MDL Number: MFCD00002318 InChI Key: WXNZTHHGJRFXKQ-UHFFFAOYSA-N Synonym: p-chlorophenol,parachlorophenol,phenol, 4-chloro,4-hydroxychlorobenzene,phenol, p-chloro,applied 3-78,4-monochlorophenol,p-chlorophenic acid,p-chlorfenol,4-chloro-1-hydroxybenzene PubChem CID: 4684 ChEBI: CHEBI:28078 IUPAC Name: 4-chlorophenol SMILES: C1=CC(=CC=C1O)Cl

PubChem CID 4684
CAS 106-48-9
Molecular Weight (g/mol) 128.555
ChEBI CHEBI:28078
MDL Number MFCD00002318
SMILES C1=CC(=CC=C1O)Cl
Synonym p-chlorophenol,parachlorophenol,phenol, 4-chloro,4-hydroxychlorobenzene,phenol, p-chloro,applied 3-78,4-monochlorophenol,p-chlorophenic acid,p-chlorfenol,4-chloro-1-hydroxybenzene
IUPAC Name 4-chlorophenol
InChI Key WXNZTHHGJRFXKQ-UHFFFAOYSA-N
Molecular Formula C6H5ClO
4,182

4-[(tert-Butyldimethylsilyl)oxy]benzaldehyde, 97%, Thermo Scientific™

CAS: 120743-99-9 Molecular Formula: C13H20O2Si Molecular Weight (g/mol): 236.39 MDL Number: MFCD05865174 InChI Key: XACWSBWCLJXKGI-UHFFFAOYSA-N Synonym: 4-t-butyldimethylsilyloxy benzaldehyde,4-tert-butyldimethylsilyl oxy benzaldehyde,4-tert-butyldimethylsilyloxy benzaldehyde,4-t-butyldimethylsilyl oxy benzaldehyde,4-tert-butyl dimethyl silyl oxy benzaldehyde,4-tert-butyldimethylsiloxy benzaldehyde,acmc-209a8a PubChem CID: 10879133 IUPAC Name: 4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde SMILES: CC(C)(C)[Si](C)(C)OC1=CC=C(C=O)C=C1

PubChem CID 10879133
CAS 120743-99-9
Molecular Weight (g/mol) 236.39
MDL Number MFCD05865174
SMILES CC(C)(C)[Si](C)(C)OC1=CC=C(C=O)C=C1
Synonym 4-t-butyldimethylsilyloxy benzaldehyde,4-tert-butyldimethylsilyl oxy benzaldehyde,4-tert-butyldimethylsilyloxy benzaldehyde,4-t-butyldimethylsilyl oxy benzaldehyde,4-tert-butyl dimethyl silyl oxy benzaldehyde,4-tert-butyldimethylsiloxy benzaldehyde,acmc-209a8a
IUPAC Name 4-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
InChI Key XACWSBWCLJXKGI-UHFFFAOYSA-N
Molecular Formula C13H20O2Si
4,183

(R)-(-)-2-Phenylbutyric acid, 99%

CAS: 938-79-4 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00063165 InChI Key: OFJWFSNDPCAWDK-UHFFFAOYNA-N Synonym: r---2-phenylbutyric acid,2r-2-phenylbutanoic acid,2-phenylbutyric acid, r,r-2-phenylbutyric acid,benzeneacetic acid, alpha-ethyl-, r,r-2-phenylbutanoic acid,2r-2-phenyl-butanoic acid,2r-2-phenyl-mutanoic acid,r---2-phenylbutanoic acid,benzeneacetic acid,a-ethyl-, ar PubChem CID: 785330 IUPAC Name: (2R)-2-phenylbutanoic acid SMILES: CCC(C(O)=O)C1=CC=CC=C1

PubChem CID 785330
CAS 938-79-4
Molecular Weight (g/mol) 164.20
MDL Number MFCD00063165
SMILES CCC(C(O)=O)C1=CC=CC=C1
Synonym r---2-phenylbutyric acid,2r-2-phenylbutanoic acid,2-phenylbutyric acid, r,r-2-phenylbutyric acid,benzeneacetic acid, alpha-ethyl-, r,r-2-phenylbutanoic acid,2r-2-phenyl-butanoic acid,2r-2-phenyl-mutanoic acid,r---2-phenylbutanoic acid,benzeneacetic acid,a-ethyl-, ar
IUPAC Name (2R)-2-phenylbutanoic acid
InChI Key OFJWFSNDPCAWDK-UHFFFAOYNA-N
Molecular Formula C10H12O2
4,184

2-Chloro-6-fluorobenzyl alcohol, 97%

CAS: 56456-50-9 Molecular Formula: C7H6ClFO Molecular Weight (g/mol): 160.572 MDL Number: MFCD00004608 InChI Key: ZZFCUESFXBCRSC-UHFFFAOYSA-N Synonym: 2-chloro-6-fluorobenzyl alcohol,2-chloro-6-fluorophenyl methanol,2-chloro-6-fluorobenzylalcohol,2-fluoro-6-chlorobenzyl alcohol,unii-5k0sc480hm,benzenemethanol, 2-chloro-6-fluoro,6-fluoro-2-chlorobenzyl alcohol,2-chloro-6-fluorobenzylic alcohol,pubchem3427,acmc-1axh3 PubChem CID: 91868 IUPAC Name: (2-chloro-6-fluorophenyl)methanol SMILES: C1=CC(=C(C(=C1)Cl)CO)F

PubChem CID 91868
CAS 56456-50-9
Molecular Weight (g/mol) 160.572
MDL Number MFCD00004608
SMILES C1=CC(=C(C(=C1)Cl)CO)F
Synonym 2-chloro-6-fluorobenzyl alcohol,2-chloro-6-fluorophenyl methanol,2-chloro-6-fluorobenzylalcohol,2-fluoro-6-chlorobenzyl alcohol,unii-5k0sc480hm,benzenemethanol, 2-chloro-6-fluoro,6-fluoro-2-chlorobenzyl alcohol,2-chloro-6-fluorobenzylic alcohol,pubchem3427,acmc-1axh3
IUPAC Name (2-chloro-6-fluorophenyl)methanol
InChI Key ZZFCUESFXBCRSC-UHFFFAOYSA-N
Molecular Formula C7H6ClFO
4,185

4-Methoxybiphenyl, 98+%

CAS: 613-37-6 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.24 MDL Number: MFCD00014897 InChI Key: RHDYQUZYHZWTCI-UHFFFAOYSA-N Synonym: 4-methoxybiphenyl,4-phenylanisole,p-methoxybiphenyl,1,1'-biphenyl, 4-methoxy,4-methoxy-1,1'-biphenyl,anisole, p-phenyl,p-phenylanisole,4-methoxy-biphenyl,biphenyl, 4-methoxy,1-methoxy-4-phenyl-benzene PubChem CID: 11943 IUPAC Name: 1-methoxy-4-phenylbenzene SMILES: COC1=CC=C(C=C1)C1=CC=CC=C1

PubChem CID 11943
CAS 613-37-6
Molecular Weight (g/mol) 184.24
MDL Number MFCD00014897
SMILES COC1=CC=C(C=C1)C1=CC=CC=C1
Synonym 4-methoxybiphenyl,4-phenylanisole,p-methoxybiphenyl,1,1'-biphenyl, 4-methoxy,4-methoxy-1,1'-biphenyl,anisole, p-phenyl,p-phenylanisole,4-methoxy-biphenyl,biphenyl, 4-methoxy,1-methoxy-4-phenyl-benzene
IUPAC Name 1-methoxy-4-phenylbenzene
InChI Key RHDYQUZYHZWTCI-UHFFFAOYSA-N
Molecular Formula C13H12O