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Complex Ketones

Organic compounds that contain one or more ketone functional groups; a ketone functional group consists of a carbonyl with a carbon atom, or other functional group adjacent to each side.

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1

3-Chloro-2,4-pentanedione, 98%

CAS: 1694-29-7 Molecular Formula: C5H7ClO2 Molecular Weight (g/mol): 134.56 MDL Number: MFCD00009651 InChI Key: VLRGXXKFHVJQOL-UHFFFAOYSA-N PubChem CID: 74328 IUPAC Name: 3-chloropentane-2,4-dione SMILES: CC(=O)C(C(=O)C)Cl

PubChem CID 74328
CAS 1694-29-7
Molecular Weight (g/mol) 134.56
MDL Number MFCD00009651
SMILES CC(=O)C(C(=O)C)Cl
IUPAC Name 3-chloropentane-2,4-dione
InChI Key VLRGXXKFHVJQOL-UHFFFAOYSA-N
Molecular Formula C5H7ClO2
2

4-Bromo-1-indanone, 97%, Thermo Scientific Chemicals

CAS: 15115-60-3 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.06 MDL Number: MFCD01719772 InChI Key: UVVYFYLSZIMKMC-UHFFFAOYSA-N Synonym: 4-bromo-1-indanone,4-bromo-indan-1-one,4-bromoindan-1-one,4-bromo-2,3-dihydro-1h-inden-1-one,1-indanone, 4-bromo,4-bromohydrindone-1,1h-inden-1-one, 4-bromo-2,3-dihydro,4-bromoindanone,4-bromo indanone,4-bromo-indanone PubChem CID: 98713 IUPAC Name: 4-bromo-2,3-dihydroinden-1-one SMILES: BrC1=CC=CC2=C1CCC2=O

PubChem CID 98713
CAS 15115-60-3
Molecular Weight (g/mol) 211.06
MDL Number MFCD01719772
SMILES BrC1=CC=CC2=C1CCC2=O
Synonym 4-bromo-1-indanone,4-bromo-indan-1-one,4-bromoindan-1-one,4-bromo-2,3-dihydro-1h-inden-1-one,1-indanone, 4-bromo,4-bromohydrindone-1,1h-inden-1-one, 4-bromo-2,3-dihydro,4-bromoindanone,4-bromo indanone,4-bromo-indanone
IUPAC Name 4-bromo-2,3-dihydroinden-1-one
InChI Key UVVYFYLSZIMKMC-UHFFFAOYSA-N
Molecular Formula C9H7BrO
3

3'-Hydroxyacetophenone, 99+%

CAS: 121-71-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002298 InChI Key: LUJMEECXHPYQOF-UHFFFAOYSA-N Synonym: 3'-hydroxyacetophenone,3-hydroxyacetophenone,1-3-hydroxyphenyl ethanone,m-hydroxyacetophenone,3-acetylphenol,1-3-hydroxyphenyl ethan-1-one,ethanone, 1-3-hydroxyphenyl,m-acetylphenol,3-hydroxy acetophenone,3-acetophenol PubChem CID: 8487 IUPAC Name: 1-(3-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)O

PubChem CID 8487
CAS 121-71-1
Molecular Weight (g/mol) 136.15
MDL Number MFCD00002298
SMILES CC(=O)C1=CC(=CC=C1)O
Synonym 3'-hydroxyacetophenone,3-hydroxyacetophenone,1-3-hydroxyphenyl ethanone,m-hydroxyacetophenone,3-acetylphenol,1-3-hydroxyphenyl ethan-1-one,ethanone, 1-3-hydroxyphenyl,m-acetylphenol,3-hydroxy acetophenone,3-acetophenol
IUPAC Name 1-(3-hydroxyphenyl)ethanone
InChI Key LUJMEECXHPYQOF-UHFFFAOYSA-N
Molecular Formula C8H8O2
4

4'-Iodoacetophenone, 98%

CAS: 13329-40-3 Molecular Formula: C8H7IO Molecular Weight (g/mol): 246.05 MDL Number: MFCD00045320 InChI Key: JZJWCDQGIPQBAO-UHFFFAOYSA-N Synonym: 4'-iodoacetophenone,1-4-iodophenyl ethanone,4-iodoacetophenone,1-4-iodophenyl ethan-1-one,p-iodoacetophenone,ethanone, 1-4-iodophenyl,1-4-iodo-phenyl-ethanone,1-acetyl-4-iodobenzene,4-iodo acetophenone,4;-iodoacetophenone PubChem CID: 72869 IUPAC Name: 1-(4-iodophenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)I

PubChem CID 72869
CAS 13329-40-3
Molecular Weight (g/mol) 246.05
MDL Number MFCD00045320
SMILES CC(=O)C1=CC=C(C=C1)I
Synonym 4'-iodoacetophenone,1-4-iodophenyl ethanone,4-iodoacetophenone,1-4-iodophenyl ethan-1-one,p-iodoacetophenone,ethanone, 1-4-iodophenyl,1-4-iodo-phenyl-ethanone,1-acetyl-4-iodobenzene,4-iodo acetophenone,4;-iodoacetophenone
IUPAC Name 1-(4-iodophenyl)ethanone
InChI Key JZJWCDQGIPQBAO-UHFFFAOYSA-N
Molecular Formula C8H7IO
5

Benzoylnitromethane, 98%

CAS: 614-21-1 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.15 MDL Number: MFCD00010218 InChI Key: JTWHVBNYYWFXSI-UHFFFAOYSA-N Synonym: benzoylnitromethane,ethanone, 2-nitro-1-phenyl,alpha-nitroacetophenone,2-nitro-1-phenylethanon,nitroacetophenone,alpha-nitro acetophenone,acmc-1bdpo,acetophenone, 2-nitro,nitromethyl phenyl ketone,.alpha.-nitroacetophenone PubChem CID: 94833 IUPAC Name: 2-nitro-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C[N+](=O)[O-]

PubChem CID 94833
CAS 614-21-1
Molecular Weight (g/mol) 165.15
MDL Number MFCD00010218
SMILES C1=CC=C(C=C1)C(=O)C[N+](=O)[O-]
Synonym benzoylnitromethane,ethanone, 2-nitro-1-phenyl,alpha-nitroacetophenone,2-nitro-1-phenylethanon,nitroacetophenone,alpha-nitro acetophenone,acmc-1bdpo,acetophenone, 2-nitro,nitromethyl phenyl ketone,.alpha.-nitroacetophenone
IUPAC Name 2-nitro-1-phenylethanone
InChI Key JTWHVBNYYWFXSI-UHFFFAOYSA-N
Molecular Formula C8H7NO3
6

1-Bromo-2-butanone, 90%, stabilized, Thermo Scientific Chemicals

CAS: 816-40-0 Molecular Formula: C4H7BrO Molecular Weight (g/mol): 151 MDL Number: MFCD00000207 InChI Key: CCXQVBSQUQCEEO-UHFFFAOYSA-N Synonym: 1-bromo-2-butanone,2-butanone, 1-bromo,1-bromobutanone,bromomethyl ethyl ketone,bromobutanone,bromobutan-2-one,l-bromo-2-butanone,acmc-20aoxd,1-bromo-butan-2-one PubChem CID: 13156 IUPAC Name: 1-bromobutan-2-one SMILES: CCC(=O)CBr

PubChem CID 13156
CAS 816-40-0
Molecular Weight (g/mol) 151
MDL Number MFCD00000207
SMILES CCC(=O)CBr
Synonym 1-bromo-2-butanone,2-butanone, 1-bromo,1-bromobutanone,bromomethyl ethyl ketone,bromobutanone,bromobutan-2-one,l-bromo-2-butanone,acmc-20aoxd,1-bromo-butan-2-one
IUPAC Name 1-bromobutan-2-one
InChI Key CCXQVBSQUQCEEO-UHFFFAOYSA-N
Molecular Formula C4H7BrO
7

4'-Ethoxyacetophenone, 99%

CAS: 1676-63-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00009095 InChI Key: YJFNFQHMQJCPRG-UHFFFAOYSA-N Synonym: 4'-ethoxyacetophenone,1-4-ethoxyphenyl ethanone,p-ethoxyacetophenone,4-ethoxyacetophenone,1-4-ethoxyphenyl ethan-1-one,ethanone, 1-4-ethoxyphenyl,4'-ethoxy acetophenone,acetophenone, p-ethoxy,acetophenone, 4'-ethoxy,4-ethoxyphenylethanone PubChem CID: 72872 IUPAC Name: 1-(4-ethoxyphenyl)ethanone SMILES: CCOC1=CC=C(C=C1)C(C)=O

PubChem CID 72872
CAS 1676-63-7
Molecular Weight (g/mol) 164.20
MDL Number MFCD00009095
SMILES CCOC1=CC=C(C=C1)C(C)=O
Synonym 4'-ethoxyacetophenone,1-4-ethoxyphenyl ethanone,p-ethoxyacetophenone,4-ethoxyacetophenone,1-4-ethoxyphenyl ethan-1-one,ethanone, 1-4-ethoxyphenyl,4'-ethoxy acetophenone,acetophenone, p-ethoxy,acetophenone, 4'-ethoxy,4-ethoxyphenylethanone
IUPAC Name 1-(4-ethoxyphenyl)ethanone
InChI Key YJFNFQHMQJCPRG-UHFFFAOYSA-N
Molecular Formula C10H12O2
9

2-Chlorocyclohexanone, 95%, stabilized

CAS: 822-87-7 Molecular Formula: C6H9ClO Molecular Weight (g/mol): 132.59 MDL Number: MFCD00001626 InChI Key: CCHNWURRBFGQCD-UHFFFAOYNA-N Synonym: 2-chlorocyclohexanone,cyclohexanone, 2-chloro,alpha-chlorocyclohexanone,2-chlorocyclohexonone,.alpha.-chlorocyclohexanone,2-chlorocyclohexanon,2-chlorocylohexanone,2-chloro cyclohexanone,2-chloro-cyclohexanone,acmc-209ted PubChem CID: 13203 IUPAC Name: 2-chlorocyclohexan-1-one SMILES: ClC1CCCCC1=O

PubChem CID 13203
CAS 822-87-7
Molecular Weight (g/mol) 132.59
MDL Number MFCD00001626
SMILES ClC1CCCCC1=O
Synonym 2-chlorocyclohexanone,cyclohexanone, 2-chloro,alpha-chlorocyclohexanone,2-chlorocyclohexonone,.alpha.-chlorocyclohexanone,2-chlorocyclohexanon,2-chlorocylohexanone,2-chloro cyclohexanone,2-chloro-cyclohexanone,acmc-209ted
IUPAC Name 2-chlorocyclohexan-1-one
InChI Key CCHNWURRBFGQCD-UHFFFAOYNA-N
Molecular Formula C6H9ClO
10

2-Chlorocyclopentanone, 97%, stabilized

CAS: 694-28-0 Molecular Formula: C5H7ClO Molecular Weight (g/mol): 118.56 MDL Number: MFCD00001410 InChI Key: AXDZFGRFZOQVBV-UHFFFAOYNA-N Synonym: 2-chlorocyclopentanone,cyclopentanone, 2-chloro,2-chloro-1-cyclopentanone,alpha-chlorocyclopentanone,2-chlorocyclopentan-one,.alpha.-chlorocyclopentanone,chlorocyclopentanone,o-chlorocyclopentanone,wln: l5vtj bg,acmc-209u9b PubChem CID: 12751 IUPAC Name: 2-chlorocyclopentan-1-one SMILES: ClC1CCCC1=O

PubChem CID 12751
CAS 694-28-0
Molecular Weight (g/mol) 118.56
MDL Number MFCD00001410
SMILES ClC1CCCC1=O
Synonym 2-chlorocyclopentanone,cyclopentanone, 2-chloro,2-chloro-1-cyclopentanone,alpha-chlorocyclopentanone,2-chlorocyclopentan-one,.alpha.-chlorocyclopentanone,chlorocyclopentanone,o-chlorocyclopentanone,wln: l5vtj bg,acmc-209u9b
IUPAC Name 2-chlorocyclopentan-1-one
InChI Key AXDZFGRFZOQVBV-UHFFFAOYNA-N
Molecular Formula C5H7ClO
11

4'-(Trifluoromethoxy)acetophenone, 98%, Thermo Scientific™

CAS: 85013-98-5 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.15 MDL Number: MFCD00042404 InChI Key: MOEXTBIPPMLEFX-UHFFFAOYSA-N Synonym: 4'-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethanone,4-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethan-1-one,4'-trifluoromethoxyacetophenone,1-4-trifluoromethoxy-phenyl-ethanone,ethanone, 1-4-trifluoromethoxy phenyl,4-trifluoromethoxyacetophenone PubChem CID: 522821 IUPAC Name: 1-[4-(trifluoromethoxy)phenyl]ethanone SMILES: CC(=O)C1=CC=C(OC(F)(F)F)C=C1

PubChem CID 522821
CAS 85013-98-5
Molecular Weight (g/mol) 204.15
MDL Number MFCD00042404
SMILES CC(=O)C1=CC=C(OC(F)(F)F)C=C1
Synonym 4'-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethanone,4-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethan-1-one,4'-trifluoromethoxyacetophenone,1-4-trifluoromethoxy-phenyl-ethanone,ethanone, 1-4-trifluoromethoxy phenyl,4-trifluoromethoxyacetophenone
IUPAC Name 1-[4-(trifluoromethoxy)phenyl]ethanone
InChI Key MOEXTBIPPMLEFX-UHFFFAOYSA-N
Molecular Formula C9H7F3O2
12

2',6'-Dichloroacetophenone, 97%, Thermo Scientific Chemicals

CAS: 2040-05-3 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00016339 InChI Key: HYBDSXBLGCQKRE-UHFFFAOYSA-N Synonym: 2',6'-dichloroacetophenone,1-2,6-dichlorophenyl ethanone,2,6-dichloroacetophenone,1-2,6-dichlorophenyl ethan-1-one,ethanone, 1-2,6-dichlorophenyl,2,6-dichloro acetophenone,1-acetyl-2,6-dichlorobenzene,zlchem 1084,pubchem12362,acmc-1cobf PubChem CID: 74877 IUPAC Name: 1-(2,6-dichlorophenyl)ethanone SMILES: CC(=O)C1=C(C=CC=C1Cl)Cl

PubChem CID 74877
CAS 2040-05-3
Molecular Weight (g/mol) 189.04
MDL Number MFCD00016339
SMILES CC(=O)C1=C(C=CC=C1Cl)Cl
Synonym 2',6'-dichloroacetophenone,1-2,6-dichlorophenyl ethanone,2,6-dichloroacetophenone,1-2,6-dichlorophenyl ethan-1-one,ethanone, 1-2,6-dichlorophenyl,2,6-dichloro acetophenone,1-acetyl-2,6-dichlorobenzene,zlchem 1084,pubchem12362,acmc-1cobf
IUPAC Name 1-(2,6-dichlorophenyl)ethanone
InChI Key HYBDSXBLGCQKRE-UHFFFAOYSA-N
Molecular Formula C8H6Cl2O
13

4'-Fluoroacetophenone, 99%

CAS: 403-42-9 Molecular Formula: C8H7FO Molecular Weight (g/mol): 138.14 MDL Number: MFCD00000354 InChI Key: ZDPAWHACYDRYIW-UHFFFAOYSA-N Synonym: 4'-fluoroacetophenone,4-fluoroacetophenone,1-4-fluorophenyl ethanone,p-fluoroacetophenone,1-4-fluorophenyl ethan-1-one,ethanone, 1-4-fluorophenyl,acetophenone, 4'-fluoro,4 fluoroacetophenone,unii-tvq090602v,1-acetyl-4-fluorobenzene PubChem CID: 9828 IUPAC Name: 1-(4-fluorophenyl)ethanone SMILES: CC(=O)C1=CC=C(F)C=C1

PubChem CID 9828
CAS 403-42-9
Molecular Weight (g/mol) 138.14
MDL Number MFCD00000354
SMILES CC(=O)C1=CC=C(F)C=C1
Synonym 4'-fluoroacetophenone,4-fluoroacetophenone,1-4-fluorophenyl ethanone,p-fluoroacetophenone,1-4-fluorophenyl ethan-1-one,ethanone, 1-4-fluorophenyl,acetophenone, 4'-fluoro,4 fluoroacetophenone,unii-tvq090602v,1-acetyl-4-fluorobenzene
IUPAC Name 1-(4-fluorophenyl)ethanone
InChI Key ZDPAWHACYDRYIW-UHFFFAOYSA-N
Molecular Formula C8H7FO
14

2,6-Diacetylpyridine, 99%

CAS: 1129-30-2 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00006304 InChI Key: BEZVGIHGZPLGBL-UHFFFAOYSA-N Synonym: 2,6-diacetylpyridine,1,1'-pyridine-2,6-diyl diethanone,1-6-acetylpyridin-2-yl ethanone,pyridine-2,6-diacetyl,2,6-diacetyl pyridine,1-6-acetyl-pyridin-2-yl-ethanone,ethanone, 1,1'-2,6-pyridinediyl bis,1-6-acetylpyridin-2-yl ethan-1-one,2,6diacetylpyridine,pubchem3144 PubChem CID: 70790 IUPAC Name: 1-(6-acetylpyridin-2-yl)ethanone SMILES: CC(=O)C1=CC=CC(=N1)C(C)=O

PubChem CID 70790
CAS 1129-30-2
Molecular Weight (g/mol) 163.18
MDL Number MFCD00006304
SMILES CC(=O)C1=CC=CC(=N1)C(C)=O
Synonym 2,6-diacetylpyridine,1,1'-pyridine-2,6-diyl diethanone,1-6-acetylpyridin-2-yl ethanone,pyridine-2,6-diacetyl,2,6-diacetyl pyridine,1-6-acetyl-pyridin-2-yl-ethanone,ethanone, 1,1'-2,6-pyridinediyl bis,1-6-acetylpyridin-2-yl ethan-1-one,2,6diacetylpyridine,pubchem3144
IUPAC Name 1-(6-acetylpyridin-2-yl)ethanone
InChI Key BEZVGIHGZPLGBL-UHFFFAOYSA-N
Molecular Formula C9H9NO2