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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Hydroxybenzoic Acid Derivatives (18,864)
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4,021 – 4,035 of 65,514 results
4,021
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4-(tert-Butyl)-o-phenylenediamine, 97%

CAS: 68176-57-8 Molecular Formula: C10H16N2 Molecular Weight (g/mol): 164.252 MDL Number: MFCD00052695 InChI Key: WLOSFXSXVXTKBU-UHFFFAOYSA-N PubChem CID: 432708 IUPAC Name: 4-tert-butylbenzene-1,2-diamine SMILES: CC(C)(C)C1=CC(=C(C=C1)N)N

PubChem CID 432708
CAS 68176-57-8
Molecular Weight (g/mol) 164.252
MDL Number MFCD00052695
SMILES CC(C)(C)C1=CC(=C(C=C1)N)N
IUPAC Name 4-tert-butylbenzene-1,2-diamine
InChI Key WLOSFXSXVXTKBU-UHFFFAOYSA-N
Molecular Formula C10H16N2
4,022
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2,6-Difluorophenylacetone, 98%, Thermo Scientific Chemicals

CAS: 101712-20-3 Molecular Formula: C9H8F2O Molecular Weight (g/mol): 170.16 InChI Key: LAWHOFKPDMZDLJ-UHFFFAOYSA-N Synonym: 1-2,6-difluorophenyl propan-2-one,2-propanone, 1-2,6-difluorophenyl,2,6-difluorophenylacetone PubChem CID: 2734927 IUPAC Name: 1-(2,6-difluorophenyl)propan-2-one SMILES: CC(=O)CC1=C(C=CC=C1F)F

PubChem CID 2734927
CAS 101712-20-3
Molecular Weight (g/mol) 170.16
SMILES CC(=O)CC1=C(C=CC=C1F)F
Synonym 1-2,6-difluorophenyl propan-2-one,2-propanone, 1-2,6-difluorophenyl,2,6-difluorophenylacetone
IUPAC Name 1-(2,6-difluorophenyl)propan-2-one
InChI Key LAWHOFKPDMZDLJ-UHFFFAOYSA-N
Molecular Formula C9H8F2O
4,023

2-[3,5-di(tert-butyl)-4-hydroxyphenyl]acetic acid, Thermo Scientific™

CAS: 1611-03-6 Molecular Formula: C16H24O3 Molecular Weight (g/mol): 264.365 InChI Key: QLMGIWHWWWXXME-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxyphenylacetic acid,3,5-di-tert-butyl-4-hydroxyphenyl acetic acid,2-3,5-di tert-butyl-4-hydroxyphenyl acetic acid,2-3,5-di-tert-butyl-4-hydroxyphenyl acetic acid,benzeneacetic acid,3,5-bis 1,1-dimethylethyl-4-hydroxy,acmc-1bvft,4-hydroxy-3,5-di-t-butylphenylacetic acid,3,5-di-t-butyl-4-hydroxyphenyl-acetic acid,4-hydroxy-3,5-di-t-butyl-phenylacetic acid,3,5-di-tert-butyl-4-hydroxybenzeneacetic acid PubChem CID: 2775110 IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)O

PubChem CID 2775110
CAS 1611-03-6
Molecular Weight (g/mol) 264.365
SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)O
Synonym 3,5-di-tert-butyl-4-hydroxyphenylacetic acid,3,5-di-tert-butyl-4-hydroxyphenyl acetic acid,2-3,5-di tert-butyl-4-hydroxyphenyl acetic acid,2-3,5-di-tert-butyl-4-hydroxyphenyl acetic acid,benzeneacetic acid,3,5-bis 1,1-dimethylethyl-4-hydroxy,acmc-1bvft,4-hydroxy-3,5-di-t-butylphenylacetic acid,3,5-di-t-butyl-4-hydroxyphenyl-acetic acid,4-hydroxy-3,5-di-t-butyl-phenylacetic acid,3,5-di-tert-butyl-4-hydroxybenzeneacetic acid
IUPAC Name 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid
InChI Key QLMGIWHWWWXXME-UHFFFAOYSA-N
Molecular Formula C16H24O3
4,024
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2,6-Difluorophenylacetone, 98%, Thermo Scientific™

CAS: 101712-20-3 Molecular Formula: C9H8F2O Molecular Weight (g/mol): 170.16 InChI Key: LAWHOFKPDMZDLJ-UHFFFAOYSA-N Synonym: 1-2,6-difluorophenyl propan-2-one,2-propanone, 1-2,6-difluorophenyl,2,6-difluorophenylacetone PubChem CID: 2734927 IUPAC Name: 1-(2,6-difluorophenyl)propan-2-one SMILES: CC(=O)CC1=C(C=CC=C1F)F

PubChem CID 2734927
CAS 101712-20-3
Molecular Weight (g/mol) 170.16
SMILES CC(=O)CC1=C(C=CC=C1F)F
Synonym 1-2,6-difluorophenyl propan-2-one,2-propanone, 1-2,6-difluorophenyl,2,6-difluorophenylacetone
IUPAC Name 1-(2,6-difluorophenyl)propan-2-one
InChI Key LAWHOFKPDMZDLJ-UHFFFAOYSA-N
Molecular Formula C9H8F2O
4,025
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Methyl 4-tert-butylbenzoate, 99%, Thermo Scientific™

CAS: 26537-19-9 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.26 MDL Number: MFCD00008835 InChI Key: UPIJOAFHOIWPLT-UHFFFAOYSA-N Synonym: methyl 4-tert-butyl benzoate,methyl p-tert-butylbenzoate,4-tert-butylbenzoic acid methyl ester,unii-8vk4o27jmt,benzoic acid, 4-1,1-dimethylethyl-, methyl ester,methyl 4-t-butylbenzoate,8vk4o27jmt,methyl4-tert-butylbenzoate,methyl p-t-butylbenzoate,benzoic acid, p-tert-butyl-, methyl ester PubChem CID: 97433 IUPAC Name: methyl 4-tert-butylbenzoate SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)OC

PubChem CID 97433
CAS 26537-19-9
Molecular Weight (g/mol) 192.26
MDL Number MFCD00008835
SMILES CC(C)(C)C1=CC=C(C=C1)C(=O)OC
Synonym methyl 4-tert-butyl benzoate,methyl p-tert-butylbenzoate,4-tert-butylbenzoic acid methyl ester,unii-8vk4o27jmt,benzoic acid, 4-1,1-dimethylethyl-, methyl ester,methyl 4-t-butylbenzoate,8vk4o27jmt,methyl4-tert-butylbenzoate,methyl p-t-butylbenzoate,benzoic acid, p-tert-butyl-, methyl ester
IUPAC Name methyl 4-tert-butylbenzoate
InChI Key UPIJOAFHOIWPLT-UHFFFAOYSA-N
Molecular Formula C12H16O2
4,026
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1-Phenyl-1,2-propanedione, 98%

CAS: 579-07-7 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00008755 InChI Key: BVQVLAIMHVDZEL-UHFFFAOYSA-N Synonym: 1-phenyl-1,2-propanedione,acetylbenzoyl,acetyl benzoyl,benzoylacetyl,methylphenylglyoxal,pyruvophenone,1,2-propanedione, 1-phenyl,phenylmethyldiketone,benzoyl methyl ketone,methyl phenyl diketone PubChem CID: 11363 ChEBI: CHEBI:63552 IUPAC Name: 1-phenylpropane-1,2-dione SMILES: CC(=O)C(=O)C1=CC=CC=C1

PubChem CID 11363
CAS 579-07-7
Molecular Weight (g/mol) 148.16
ChEBI CHEBI:63552
MDL Number MFCD00008755
SMILES CC(=O)C(=O)C1=CC=CC=C1
Synonym 1-phenyl-1,2-propanedione,acetylbenzoyl,acetyl benzoyl,benzoylacetyl,methylphenylglyoxal,pyruvophenone,1,2-propanedione, 1-phenyl,phenylmethyldiketone,benzoyl methyl ketone,methyl phenyl diketone
IUPAC Name 1-phenylpropane-1,2-dione
InChI Key BVQVLAIMHVDZEL-UHFFFAOYSA-N
Molecular Formula C9H8O2
4,027
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2-Fluorophenylacetone, 98%

CAS: 2836-82-0 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.168 MDL Number: MFCD00000325 InChI Key: BANVZEUCJHUPOI-UHFFFAOYSA-N Synonym: 2-fluorophenylacetone,1-2-fluorophenyl propan-2-one,1-2-fluorophenyl acetone,2-fluorophenyl acetone,o-fluorophenylacetone,2-propanone, 1-2-fluorophenyl,acmc-20anub,ksc497e4p,1-2-fluorophenyl acetone # PubChem CID: 76086 IUPAC Name: 1-(2-fluorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1F

PubChem CID 76086
CAS 2836-82-0
Molecular Weight (g/mol) 152.168
MDL Number MFCD00000325
SMILES CC(=O)CC1=CC=CC=C1F
Synonym 2-fluorophenylacetone,1-2-fluorophenyl propan-2-one,1-2-fluorophenyl acetone,2-fluorophenyl acetone,o-fluorophenylacetone,2-propanone, 1-2-fluorophenyl,acmc-20anub,ksc497e4p,1-2-fluorophenyl acetone #
IUPAC Name 1-(2-fluorophenyl)propan-2-one
InChI Key BANVZEUCJHUPOI-UHFFFAOYSA-N
Molecular Formula C9H9FO
4,028
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2-Methoxy-4-nitrobenzonitrile, 98%

CAS: 101084-96-2 Molecular Formula: C8H6N2O3 Molecular Weight (g/mol): 178.147 MDL Number: MFCD02093781 InChI Key: MLIKCKXLGYEGAO-UHFFFAOYSA-N Synonym: 2-cyano-5-nitroanisole,acmc-20a4y1,4-nitro-2-methoxybenzonitrile,2-methoxy-4-nitro-benzonitrile,2-methyloxy-4-nitrobenzonitrile,2-methoxy-4-nitrobenzonitrile PubChem CID: 291867 IUPAC Name: 2-methoxy-4-nitrobenzonitrile SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])C#N

PubChem CID 291867
CAS 101084-96-2
Molecular Weight (g/mol) 178.147
MDL Number MFCD02093781
SMILES COC1=C(C=CC(=C1)[N+](=O)[O-])C#N
Synonym 2-cyano-5-nitroanisole,acmc-20a4y1,4-nitro-2-methoxybenzonitrile,2-methoxy-4-nitro-benzonitrile,2-methyloxy-4-nitrobenzonitrile,2-methoxy-4-nitrobenzonitrile
IUPAC Name 2-methoxy-4-nitrobenzonitrile
InChI Key MLIKCKXLGYEGAO-UHFFFAOYSA-N
Molecular Formula C8H6N2O3
4,029
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3-Hydroxy-4-nitrobenzaldehyde, 97%

CAS: 704-13-2 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007109 InChI Key: AUBBVPIQUDFRQI-UHFFFAOYSA-N Synonym: benzaldehyde, 3-hydroxy-4-nitro,3-hydroxy-4-nitro-benzaldehyde,4-nitro-3-hydroxybenzaldehyde,3-formyl-6-nitrophenol,acmc-1bm06,ksc495a6r,3-hydroxy-4-nitro benzaldehyde,3-hydroxy-4-nitrobenzaldehyde PubChem CID: 69712 IUPAC Name: 3-hydroxy-4-nitrobenzaldehyde SMILES: OC1=CC(C=O)=CC=C1[N+]([O-])=O

PubChem CID 69712
CAS 704-13-2
Molecular Weight (g/mol) 167.12
MDL Number MFCD00007109
SMILES OC1=CC(C=O)=CC=C1[N+]([O-])=O
Synonym benzaldehyde, 3-hydroxy-4-nitro,3-hydroxy-4-nitro-benzaldehyde,4-nitro-3-hydroxybenzaldehyde,3-formyl-6-nitrophenol,acmc-1bm06,ksc495a6r,3-hydroxy-4-nitro benzaldehyde,3-hydroxy-4-nitrobenzaldehyde
IUPAC Name 3-hydroxy-4-nitrobenzaldehyde
InChI Key AUBBVPIQUDFRQI-UHFFFAOYSA-N
Molecular Formula C7H5NO4
4,030
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2-Hydroxy-5-nitrobenzaldehyde, 98%

CAS: 97-51-8 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007337 InChI Key: IHFRMUGEILMHNU-UHFFFAOYSA-N Synonym: 5-nitrosalicylaldehyde,benzaldehyde, 2-hydroxy-5-nitro,salicylaldehyde, 5-nitro,5-nitrosaliclaldehyde,2-hydroxy-5-nitro-benzaldehyde,5-nitro salicylaldehdye,timtec-bb sbb003885,labotest-bb lt00920994,salicylaldehyde, 5-nitro-6ci,7ci,8ci,pubchem2052 PubChem CID: 66808 IUPAC Name: 2-hydroxy-5-nitrobenzaldehyde SMILES: OC1=CC=C(C=C1C=O)[N+]([O-])=O

PubChem CID 66808
CAS 97-51-8
Molecular Weight (g/mol) 167.12
MDL Number MFCD00007337
SMILES OC1=CC=C(C=C1C=O)[N+]([O-])=O
Synonym 5-nitrosalicylaldehyde,benzaldehyde, 2-hydroxy-5-nitro,salicylaldehyde, 5-nitro,5-nitrosaliclaldehyde,2-hydroxy-5-nitro-benzaldehyde,5-nitro salicylaldehdye,timtec-bb sbb003885,labotest-bb lt00920994,salicylaldehyde, 5-nitro-6ci,7ci,8ci,pubchem2052
IUPAC Name 2-hydroxy-5-nitrobenzaldehyde
InChI Key IHFRMUGEILMHNU-UHFFFAOYSA-N
Molecular Formula C7H5NO4
4,031
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4-Iodo-3-nitroanisole, 98+%

CAS: 58755-70-7 Molecular Formula: C7H6INO3 Molecular Weight (g/mol): 279.033 MDL Number: MFCD00024195 InChI Key: JWZODIRSJJQOKY-UHFFFAOYSA-N Synonym: 4-iodo-3-nitroanisole,3-nitro-4-iodoanisole,2-iodo-5-methoxynitrobenzene,1-iodo-4-methoxy-2-nitro-benzene,benzene, 1-iodo-4-methoxy-2-nitro,3-nitro-4-iodoanisol,acmc-1b13g,ksc494s9p,1-iodo-2-nitro-4-methoxybenzene,attercop-chm at115569 PubChem CID: 292659 IUPAC Name: 1-iodo-4-methoxy-2-nitrobenzene SMILES: COC1=CC(=C(C=C1)I)[N+](=O)[O-]

PubChem CID 292659
CAS 58755-70-7
Molecular Weight (g/mol) 279.033
MDL Number MFCD00024195
SMILES COC1=CC(=C(C=C1)I)[N+](=O)[O-]
Synonym 4-iodo-3-nitroanisole,3-nitro-4-iodoanisole,2-iodo-5-methoxynitrobenzene,1-iodo-4-methoxy-2-nitro-benzene,benzene, 1-iodo-4-methoxy-2-nitro,3-nitro-4-iodoanisol,acmc-1b13g,ksc494s9p,1-iodo-2-nitro-4-methoxybenzene,attercop-chm at115569
IUPAC Name 1-iodo-4-methoxy-2-nitrobenzene
InChI Key JWZODIRSJJQOKY-UHFFFAOYSA-N
Molecular Formula C7H6INO3
4,032
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2,6-Dimethyl-4-nitroanisole, 99%

CAS: 14804-39-8 Molecular Formula: C9H11NO3 Molecular Weight (g/mol): 181.19 MDL Number: MFCD00024537 InChI Key: HSDNHFOJTRMGER-UHFFFAOYSA-N Synonym: 2,6-dimethyl-4-nitroanisole,m-xylene, 2-methoxy-5-nitro,benzene,2-methoxy-1,3-dimethyl-5-nitro,acmc-20ao84,m-xylene, 2-methoxy-5-nitro-,,4-methoxy-3,5-dimethylnitrobenzene,2,6-dimethyl-1-methoxy-4-nitrobenzene,2-methoxy-1,3-di-methyl-5-nitrobenzene,benzene, 2-methoxy-1,3-dimethyl-5-nitro PubChem CID: 139835 IUPAC Name: 2-methoxy-1,3-dimethyl-5-nitrobenzene SMILES: COC1=C(C)C=C(C=C1C)[N+]([O-])=O

PubChem CID 139835
CAS 14804-39-8
Molecular Weight (g/mol) 181.19
MDL Number MFCD00024537
SMILES COC1=C(C)C=C(C=C1C)[N+]([O-])=O
Synonym 2,6-dimethyl-4-nitroanisole,m-xylene, 2-methoxy-5-nitro,benzene,2-methoxy-1,3-dimethyl-5-nitro,acmc-20ao84,m-xylene, 2-methoxy-5-nitro-,,4-methoxy-3,5-dimethylnitrobenzene,2,6-dimethyl-1-methoxy-4-nitrobenzene,2-methoxy-1,3-di-methyl-5-nitrobenzene,benzene, 2-methoxy-1,3-dimethyl-5-nitro
IUPAC Name 2-methoxy-1,3-dimethyl-5-nitrobenzene
InChI Key HSDNHFOJTRMGER-UHFFFAOYSA-N
Molecular Formula C9H11NO3
4,033
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1-(4-bromobutoxy)-4-nitrobenzene, 85%, Thermo Scientific™

CAS: 55502-03-9 Molecular Formula: C10H12BrNO3 Molecular Weight (g/mol): 274.11 MDL Number: MFCD00980317 InChI Key: DBRBCFJUEVSKGZ-UHFFFAOYSA-N Synonym: 1-4-bromobutoxy-4-nitrobenzene,4-nitrophenoxybutyl bromide PubChem CID: 2063669 IUPAC Name: 1-(4-bromobutoxy)-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])OCCCCBr

PubChem CID 2063669
CAS 55502-03-9
Molecular Weight (g/mol) 274.11
MDL Number MFCD00980317
SMILES C1=CC(=CC=C1[N+](=O)[O-])OCCCCBr
Synonym 1-4-bromobutoxy-4-nitrobenzene,4-nitrophenoxybutyl bromide
IUPAC Name 1-(4-bromobutoxy)-4-nitrobenzene
InChI Key DBRBCFJUEVSKGZ-UHFFFAOYSA-N
Molecular Formula C10H12BrNO3
4,034
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2-Chlorophenylacetone, 96%

CAS: 6305-95-9 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00045175 InChI Key: LWGNDIMNCPMZOF-UHFFFAOYSA-N Synonym: 2-chlorophenylacetone,1-2-chlorophenyl propan-2-one,1-2-chlorophenyl acetone,2-propanone, 1-2-chlorophenyl,acmc-20apcv,2-chlorphenyl acetone,1-2-chlorophenyl acetone #,1-2-chlorophenyl-2-propanone,1-2-chloro-phenyl-propan-2-one PubChem CID: 229355 IUPAC Name: 1-(2-chlorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1Cl

PubChem CID 229355
CAS 6305-95-9
Molecular Weight (g/mol) 168.62
MDL Number MFCD00045175
SMILES CC(=O)CC1=CC=CC=C1Cl
Synonym 2-chlorophenylacetone,1-2-chlorophenyl propan-2-one,1-2-chlorophenyl acetone,2-propanone, 1-2-chlorophenyl,acmc-20apcv,2-chlorphenyl acetone,1-2-chlorophenyl acetone #,1-2-chlorophenyl-2-propanone,1-2-chloro-phenyl-propan-2-one
IUPAC Name 1-(2-chlorophenyl)propan-2-one
InChI Key LWGNDIMNCPMZOF-UHFFFAOYSA-N
Molecular Formula C9H9ClO
4,035
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3-n-Propylphenol, 98%

CAS: 621-27-2 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD01632130 InChI Key: MPWGZBWDLMDIHO-UHFFFAOYSA-N Synonym: 3-n-propylphenol,m-propylphenol,phenol, 3-propyl,phenol, m-propyl,unii-593r721cic,1-hydroxy-3-n-propylbenzene,phenol, m-propyl-8ci,phenol, 3-propyl-9ci PubChem CID: 69302 IUPAC Name: 3-propylphenol SMILES: CCCC1=CC(=CC=C1)O

PubChem CID 69302
CAS 621-27-2
Molecular Weight (g/mol) 136.194
MDL Number MFCD01632130
SMILES CCCC1=CC(=CC=C1)O
Synonym 3-n-propylphenol,m-propylphenol,phenol, 3-propyl,phenol, m-propyl,unii-593r721cic,1-hydroxy-3-n-propylbenzene,phenol, m-propyl-8ci,phenol, 3-propyl-9ci
IUPAC Name 3-propylphenol
InChI Key MPWGZBWDLMDIHO-UHFFFAOYSA-N
Molecular Formula C9H12O