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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

Diacetyl 98.0+%, TCI America™

CAS: 431-03-8 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00008756 InChI Key: QSJXEFYPDANLFS-UHFFFAOYSA-N Synonym: 2,3-butanedione,diacetyl,biacetyl,dimethylglyoxal,2,3-diketobutane,dimethyl glyoxal,butanedione,dimethyl diketone,2,3-butadione,2,3-dioxobutane PubChem CID: 650 ChEBI: CHEBI:16583 IUPAC Name: butane-2,3-dione SMILES: CC(=O)C(=O)C

PubChem CID 650
CAS 431-03-8
Molecular Weight (g/mol) 86.09
ChEBI CHEBI:16583
MDL Number MFCD00008756
SMILES CC(=O)C(=O)C
Synonym 2,3-butanedione,diacetyl,biacetyl,dimethylglyoxal,2,3-diketobutane,dimethyl glyoxal,butanedione,dimethyl diketone,2,3-butadione,2,3-dioxobutane
IUPAC Name butane-2,3-dione
InChI Key QSJXEFYPDANLFS-UHFFFAOYSA-N
Molecular Formula C4H6O2
2

Phenacyl 4-(Bromomethyl)phenylacetate 97.0+%, TCI America™

CAS: 66270-97-1 Molecular Formula: C17H15BrO3 Molecular Weight (g/mol): 347.21 MDL Number: MFCD00009632 InChI Key: BUQPIKAEKYNDAS-UHFFFAOYSA-N Synonym: 4-(Bromomethyl)phenylacetic Acid Phenacyl Ester PubChem CID: 570776 IUPAC Name: 2-oxo-2-phenylethyl 2-[4-(bromomethyl)phenyl]acetate SMILES: BrCC1=CC=C(CC(=O)OCC(=O)C2=CC=CC=C2)C=C1

PubChem CID 570776
CAS 66270-97-1
Molecular Weight (g/mol) 347.21
MDL Number MFCD00009632
SMILES BrCC1=CC=C(CC(=O)OCC(=O)C2=CC=CC=C2)C=C1
Synonym 4-(Bromomethyl)phenylacetic Acid Phenacyl Ester
IUPAC Name 2-oxo-2-phenylethyl 2-[4-(bromomethyl)phenyl]acetate
InChI Key BUQPIKAEKYNDAS-UHFFFAOYSA-N
Molecular Formula C17H15BrO3
3

2'-Acetoxyacetophenone, 98%

CAS: 7250-94-4 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00017223 InChI Key: WWEDAIJJBDFOOK-UHFFFAOYSA-N Synonym: 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci PubChem CID: 16716 IUPAC Name: (2-acetylphenyl) acetate SMILES: CC(=O)OC1=CC=CC=C1C(C)=O

PubChem CID 16716
CAS 7250-94-4
Molecular Weight (g/mol) 178.19
MDL Number MFCD00017223
SMILES CC(=O)OC1=CC=CC=C1C(C)=O
Synonym 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci
IUPAC Name (2-acetylphenyl) acetate
InChI Key WWEDAIJJBDFOOK-UHFFFAOYSA-N
Molecular Formula C10H10O3
4

2'-Hydroxy-4',5'-dimethylacetophenone, 98%

CAS: 36436-65-4 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00002306 InChI Key: YXVSURZEXVMUAM-UHFFFAOYSA-N PubChem CID: 118976 IUPAC Name: 1-(2-hydroxy-4,5-dimethylphenyl)ethanone SMILES: CC1=C(C=C(C(=C1)C(=O)C)O)C

PubChem CID 118976
CAS 36436-65-4
Molecular Weight (g/mol) 164.204
MDL Number MFCD00002306
SMILES CC1=C(C=C(C(=C1)C(=O)C)O)C
IUPAC Name 1-(2-hydroxy-4,5-dimethylphenyl)ethanone
InChI Key YXVSURZEXVMUAM-UHFFFAOYSA-N
Molecular Formula C10H12O2
5

1,1,1-Trifluoro-2-butanone, 96%

CAS: 381-88-4 Molecular Formula: C4H5F3O Molecular Weight (g/mol): 126.08 MDL Number: MFCD00190641 InChI Key: QBVHMPFSDVNFAY-UHFFFAOYSA-N Synonym: 1,1,1-trifluoro-2-butanone,1,1,1-trifluorobutane-2-one,2-butanone, 1,1,1-trifluoro,1,1,1-trifluoromethyl ethyl ketone,trifluoro-2-butanone,acmc-20ap8w,trifluoromethylethylketone,ethyl trifluoromethyl ketone,trifluoromethyl ethyl ketone,1,1-trifluoro-2-butanone PubChem CID: 238288 IUPAC Name: 1,1,1-trifluorobutan-2-one SMILES: CCC(=O)C(F)(F)F

PubChem CID 238288
CAS 381-88-4
Molecular Weight (g/mol) 126.08
MDL Number MFCD00190641
SMILES CCC(=O)C(F)(F)F
Synonym 1,1,1-trifluoro-2-butanone,1,1,1-trifluorobutane-2-one,2-butanone, 1,1,1-trifluoro,1,1,1-trifluoromethyl ethyl ketone,trifluoro-2-butanone,acmc-20ap8w,trifluoromethylethylketone,ethyl trifluoromethyl ketone,trifluoromethyl ethyl ketone,1,1-trifluoro-2-butanone
IUPAC Name 1,1,1-trifluorobutan-2-one
InChI Key QBVHMPFSDVNFAY-UHFFFAOYSA-N
Molecular Formula C4H5F3O
6

2,4'-Dibromopropiophenone, 98%, Thermo Scientific™

CAS: 38786-67-3 Molecular Formula: C9H8Br2O Molecular Weight (g/mol): 291.97 MDL Number: MFCD00209571 InChI Key: GKALOSTUZMFUQB-LURJTMIESA-N PubChem CID: 603907 IUPAC Name: 2-bromo-1-(4-bromophenyl)propan-1-one SMILES: C[C@H](Br)C(=O)C1=CC=C(Br)C=C1

PubChem CID 603907
CAS 38786-67-3
Molecular Weight (g/mol) 291.97
MDL Number MFCD00209571
SMILES C[C@H](Br)C(=O)C1=CC=C(Br)C=C1
IUPAC Name 2-bromo-1-(4-bromophenyl)propan-1-one
InChI Key GKALOSTUZMFUQB-LURJTMIESA-N
Molecular Formula C9H8Br2O
7

2'-Chloroacetophenone, 97%

CAS: 2142-68-9 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.6 MDL Number: MFCD00000560 InChI Key: ZDOYHCIRUPHUHN-UHFFFAOYSA-N Synonym: 2'-chloroacetophenone,1-2-chlorophenyl ethanone,o-chloroacetophenone,1-2-chlorophenyl ethan-1-one,ethanone, 1-2-chlorophenyl,acetophenone, 2'-chloro,o-chloroacetophonone,1-2-chloro-phenyl-ethanone,ethanone, 1-chlorophenyl,1-acetyl-2-chlorobenzene PubChem CID: 72864 IUPAC Name: 1-(2-chlorophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1Cl

PubChem CID 72864
CAS 2142-68-9
Molecular Weight (g/mol) 154.6
MDL Number MFCD00000560
SMILES CC(=O)C1=CC=CC=C1Cl
Synonym 2'-chloroacetophenone,1-2-chlorophenyl ethanone,o-chloroacetophenone,1-2-chlorophenyl ethan-1-one,ethanone, 1-2-chlorophenyl,acetophenone, 2'-chloro,o-chloroacetophonone,1-2-chloro-phenyl-ethanone,ethanone, 1-chlorophenyl,1-acetyl-2-chlorobenzene
IUPAC Name 1-(2-chlorophenyl)ethanone
InChI Key ZDOYHCIRUPHUHN-UHFFFAOYSA-N
Molecular Formula C8H7ClO
8

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
9

2-Acetylthiophene, 98%

CAS: 88-15-3 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.17 MDL Number: MFCD00005442 InChI Key: WYJOVVXUZNRJQY-UHFFFAOYSA-N Synonym: 2-acetylthiophene,1-2-thienyl ethanone,1-thiophen-2-yl-ethanone,methyl 2-thienyl ketone,2-acetothienone,2-acetothiophene,ethanone, 1-2-thienyl,2-acetyl thiophene,ketone, methyl 2-thienyl,2-thienyl methyl ketone PubChem CID: 6920 IUPAC Name: 1-thiophen-2-ylethanone SMILES: CC(=O)C1=CC=CS1

PubChem CID 6920
CAS 88-15-3
Molecular Weight (g/mol) 126.17
MDL Number MFCD00005442
SMILES CC(=O)C1=CC=CS1
Synonym 2-acetylthiophene,1-2-thienyl ethanone,1-thiophen-2-yl-ethanone,methyl 2-thienyl ketone,2-acetothienone,2-acetothiophene,ethanone, 1-2-thienyl,2-acetyl thiophene,ketone, methyl 2-thienyl,2-thienyl methyl ketone
IUPAC Name 1-thiophen-2-ylethanone
InChI Key WYJOVVXUZNRJQY-UHFFFAOYSA-N
Molecular Formula C6H6OS
10

2,3,5,6-Tetrabromo-4-methyl-4-nitrocyclohexa-2,5-dienone 97%, Thermo Scientific™

CAS: 95111-49-2 Molecular Formula: C7H3Br4NO3 Molecular Weight (g/mol): 468.721 InChI Key: KKWDBDVGMIDKLP-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one,acmc-209ruw,2,3,5,6-tetrabromo-4-methyl-4-nitrocyclohexa-2,5-dienone,4-nitro-4-methyl-2,3,5,6-tetrabromo-2,5-cyclohexadien-1-one,2,3,5,6-tetrabromo-4-methyl-4-nitro-cyclohexa-2,5-dien-1-one PubChem CID: 2724547 IUPAC Name: 2,3,5,6-tetrabromo-4-methyl-4-nitrocyclohexa-2,5-dien-1-one SMILES: CC1(C(=C(C(=O)C(=C1Br)Br)Br)Br)[N+](=O)[O-]

PubChem CID 2724547
CAS 95111-49-2
Molecular Weight (g/mol) 468.721
SMILES CC1(C(=C(C(=O)C(=C1Br)Br)Br)Br)[N+](=O)[O-]
Synonym 2,3,5,6-tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one,acmc-209ruw,2,3,5,6-tetrabromo-4-methyl-4-nitrocyclohexa-2,5-dienone,4-nitro-4-methyl-2,3,5,6-tetrabromo-2,5-cyclohexadien-1-one,2,3,5,6-tetrabromo-4-methyl-4-nitro-cyclohexa-2,5-dien-1-one
IUPAC Name 2,3,5,6-tetrabromo-4-methyl-4-nitrocyclohexa-2,5-dien-1-one
InChI Key KKWDBDVGMIDKLP-UHFFFAOYSA-N
Molecular Formula C7H3Br4NO3