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Carbonyl compounds

Organic compounds that contain one or more carbonyl (a carbon atom with a double bond to an oxygen atom) functional groups. Includes compounds with functional groups that contain a carbonyl in their structure such as ketones, aldehydes, and others.
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Complex Ketones (217)
Alpha beta-unsaturated carbonyl compounds (5)
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1

3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde, 97%, Thermo Scientific™

CAS: 273727-50-7 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.19 MDL Number: MFCD09817468 InChI Key: YUNJEYQSCYYAEF-UHFFFAOYSA-N Synonym: 3-3-methyl-1,2,4-oxadiazol-5-yl benzaldehyde,benzaldehyde,3-3-methyl-1,2,4-oxadiazol-5-yl,3-3-methyl-1,2,4 oxadiazol-5-yl-benzaldehyde PubChem CID: 18545510 IUPAC Name: 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde SMILES: CC1=NOC(=N1)C1=CC(C=O)=CC=C1

PubChem CID 18545510
CAS 273727-50-7
Molecular Weight (g/mol) 188.19
MDL Number MFCD09817468
SMILES CC1=NOC(=N1)C1=CC(C=O)=CC=C1
Synonym 3-3-methyl-1,2,4-oxadiazol-5-yl benzaldehyde,benzaldehyde,3-3-methyl-1,2,4-oxadiazol-5-yl,3-3-methyl-1,2,4 oxadiazol-5-yl-benzaldehyde
IUPAC Name 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde
InChI Key YUNJEYQSCYYAEF-UHFFFAOYSA-N
Molecular Formula C10H8N2O2
2

2-Bromo-1-[4-(trifluoromethyl)phenyl]ethan-1-one, Tech., Thermo Scientific™

CAS: 383-53-9 Molecular Formula: C9H6BrF3O Molecular Weight (g/mol): 267.05 MDL Number: MFCD00126489 InChI Key: HEMROKPXTCOASZ-UHFFFAOYSA-N Synonym: 2-bromo-1-4-trifluoromethyl phenyl ethan-1-one,4-trifluoromethyl phenacyl bromide,2-bromo-4'-trifluoromethyl acetophenone,2-bromo-1-4-trifluoromethyl phenyl ethanone,2-bromo-4'-trifluoromethyl acetophenon,4-trifluoromethylphenacyl bromide,ethanone, 2-bromo-1-4-trifluoromethyl phenyl,4'-trifluoromethyl phenacyl bromide,2-bromo-4'-trifluoromethylacetophenone PubChem CID: 321979 IUPAC Name: 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone SMILES: FC(F)(F)C1=CC=C(C=C1)C(=O)CBr

PubChem CID 321979
CAS 383-53-9
Molecular Weight (g/mol) 267.05
MDL Number MFCD00126489
SMILES FC(F)(F)C1=CC=C(C=C1)C(=O)CBr
Synonym 2-bromo-1-4-trifluoromethyl phenyl ethan-1-one,4-trifluoromethyl phenacyl bromide,2-bromo-4'-trifluoromethyl acetophenone,2-bromo-1-4-trifluoromethyl phenyl ethanone,2-bromo-4'-trifluoromethyl acetophenon,4-trifluoromethylphenacyl bromide,ethanone, 2-bromo-1-4-trifluoromethyl phenyl,4'-trifluoromethyl phenacyl bromide,2-bromo-4'-trifluoromethylacetophenone
IUPAC Name 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone
InChI Key HEMROKPXTCOASZ-UHFFFAOYSA-N
Molecular Formula C9H6BrF3O
3

2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-1-ethanone, ≥95%, Thermo Scientific™

CAS: 137577-00-5 Molecular Formula: C12H11BrN2O Molecular Weight (g/mol): 279.137 MDL Number: MFCD02681921 InChI Key: VYGXRQSIPNGJNK-UHFFFAOYSA-N Synonym: 2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl-1-ethanone,2-bromo-1-5-methyl-1-phenylpyrazol-4-yl ethanone,2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl ethan-1-one,ethanone, 2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl,acmc-1c040,1-phenyl-4-2-bromoacetyl-5-methylpyrazole,4-bromoacetyl-5-methyl-1-phenyl-1h-pyrazole,2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl ethanone,1-1-phenyl-5-methyl-1h-pyrazole-4-yl-2-bromoethanone,2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl-ethanone PubChem CID: 2776439 IUPAC Name: 2-bromo-1-(5-methyl-1-phenylpyrazol-4-yl)ethanone SMILES: CC1=C(C=NN1C2=CC=CC=C2)C(=O)CBr

PubChem CID 2776439
CAS 137577-00-5
Molecular Weight (g/mol) 279.137
MDL Number MFCD02681921
SMILES CC1=C(C=NN1C2=CC=CC=C2)C(=O)CBr
Synonym 2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl-1-ethanone,2-bromo-1-5-methyl-1-phenylpyrazol-4-yl ethanone,2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl ethan-1-one,ethanone, 2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl,acmc-1c040,1-phenyl-4-2-bromoacetyl-5-methylpyrazole,4-bromoacetyl-5-methyl-1-phenyl-1h-pyrazole,2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl ethanone,1-1-phenyl-5-methyl-1h-pyrazole-4-yl-2-bromoethanone,2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl-ethanone
IUPAC Name 2-bromo-1-(5-methyl-1-phenylpyrazol-4-yl)ethanone
InChI Key VYGXRQSIPNGJNK-UHFFFAOYSA-N
Molecular Formula C12H11BrN2O
4

4-(1H-Pyrazol-1-yl)benzaldehyde, ≥95%, Thermo Scientific™

CAS: 99662-34-7 Molecular Formula: C10H8N2O Molecular Weight (g/mol): 172.187 MDL Number: MFCD02681938 InChI Key: PPGRDLZPSDHBIC-UHFFFAOYSA-N Synonym: 4-1h-pyrazol-1-yl benzaldehyde,4-pyrazol-1-yl-benzaldehyde,1-4'-formylphenyl pyrazole,1-4-formylphenyl pyrazole,4-1h-pyrazol-1-yl benzenecarbaldehyde,4-pyrazol-1-yl benzaldehyde,1-4-formylphenyl-1h-pyrazole,benzaldehyde, 4-1h-pyrazol-1-yl,4-pyrazolylbenzaldehyde,pubchem22713 PubChem CID: 2776477 IUPAC Name: 4-pyrazol-1-ylbenzaldehyde SMILES: C1=CN(N=C1)C2=CC=C(C=C2)C=O

PubChem CID 2776477
CAS 99662-34-7
Molecular Weight (g/mol) 172.187
MDL Number MFCD02681938
SMILES C1=CN(N=C1)C2=CC=C(C=C2)C=O
Synonym 4-1h-pyrazol-1-yl benzaldehyde,4-pyrazol-1-yl-benzaldehyde,1-4'-formylphenyl pyrazole,1-4-formylphenyl pyrazole,4-1h-pyrazol-1-yl benzenecarbaldehyde,4-pyrazol-1-yl benzaldehyde,1-4-formylphenyl-1h-pyrazole,benzaldehyde, 4-1h-pyrazol-1-yl,4-pyrazolylbenzaldehyde,pubchem22713
IUPAC Name 4-pyrazol-1-ylbenzaldehyde
InChI Key PPGRDLZPSDHBIC-UHFFFAOYSA-N
Molecular Formula C10H8N2O
5

ethyle5-(2-bromoacetyl)isoxazole-3-carboxylate, 97%, Thermo Scientific™

CAS: 104776-74-1 Molecular Formula: C8H8BrNO4 Molecular Weight (g/mol): 262.06 MDL Number: MFCD00173773 InChI Key: GUYZRQOTADGHII-UHFFFAOYSA-N Synonym: ethyl 5-2-bromoacetyl isoxazole-3-carboxylate,ethyl 5-bromoacetyl isoxazole-3-carboxylate,ethyl 5-2-bromoacetyl-1,2-oxazole-3-carboxylate,ethyl 5-bromoacetyl-1,2-oxazole-3-carboxylate,3-isoxazolecarboxylicacid, 5-2-bromoacetyl-, ethyl ester,acmc-20a3va,5-bromoacetyl-3-ethoxycarbonyl isoxazole,ethyl 5-2-bromanylethanoyl-1,2-oxazole-3-carboxylate,5-2-bromo-1-oxoethyl-3-isoxazolecarboxylic acid ethyl ester PubChem CID: 2736373 IUPAC Name: ethyl 5-(2-bromoacetyl)-1,2-oxazole-3-carboxylate SMILES: CCOC(=O)C1=NOC(=C1)C(=O)CBr

PubChem CID 2736373
CAS 104776-74-1
Molecular Weight (g/mol) 262.06
MDL Number MFCD00173773
SMILES CCOC(=O)C1=NOC(=C1)C(=O)CBr
Synonym ethyl 5-2-bromoacetyl isoxazole-3-carboxylate,ethyl 5-bromoacetyl isoxazole-3-carboxylate,ethyl 5-2-bromoacetyl-1,2-oxazole-3-carboxylate,ethyl 5-bromoacetyl-1,2-oxazole-3-carboxylate,3-isoxazolecarboxylicacid, 5-2-bromoacetyl-, ethyl ester,acmc-20a3va,5-bromoacetyl-3-ethoxycarbonyl isoxazole,ethyl 5-2-bromanylethanoyl-1,2-oxazole-3-carboxylate,5-2-bromo-1-oxoethyl-3-isoxazolecarboxylic acid ethyl ester
IUPAC Name ethyl 5-(2-bromoacetyl)-1,2-oxazole-3-carboxylate
InChI Key GUYZRQOTADGHII-UHFFFAOYSA-N
Molecular Formula C8H8BrNO4
6

Isoquinoline-4-carbaldehyde, 97%, Thermo Scientific™

CAS: 22960-16-3 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.172 MDL Number: MFCD00829440 InChI Key: RNQQJLYJLDQGGL-UHFFFAOYSA-N Synonym: isoquinoline-4-carboxaldehyde,4-isoquinolinecarboxaldehyde,4-formylisoquinoline,pubchem15962,acmc-20aig4,4-isoquinolinecarbaldehyde,ksc201k4f,4-isoquinolinecarboxaldehyde 7ci,8ci,9ci PubChem CID: 10868870 IUPAC Name: isoquinoline-4-carbaldehyde SMILES: C1=CC=C2C(=C1)C=NC=C2C=O

PubChem CID 10868870
CAS 22960-16-3
Molecular Weight (g/mol) 157.172
MDL Number MFCD00829440
SMILES C1=CC=C2C(=C1)C=NC=C2C=O
Synonym isoquinoline-4-carboxaldehyde,4-isoquinolinecarboxaldehyde,4-formylisoquinoline,pubchem15962,acmc-20aig4,4-isoquinolinecarbaldehyde,ksc201k4f,4-isoquinolinecarboxaldehyde 7ci,8ci,9ci
IUPAC Name isoquinoline-4-carbaldehyde
InChI Key RNQQJLYJLDQGGL-UHFFFAOYSA-N
Molecular Formula C10H7NO
7

2-Anilinopyrimidine-5-carbaldehyde, 97%, Thermo Scientific™

CAS: 108002-87-5 Molecular Formula: C11H9N3O Molecular Weight (g/mol): 199.213 InChI Key: QNFHXIZSGIGYOU-UHFFFAOYSA-N Synonym: 2-phenylamino pyrimidine-5-carbaldehyde,2-anilinopyrimidine-5-carboxaldehyde,2-phenylamino pyrimidine-5-carboxaldehyde,2-anilinopyrimidine-5-carbaldehyde PubChem CID: 33589542 IUPAC Name: 2-anilinopyrimidine-5-carbaldehyde SMILES: C1=CC=C(C=C1)NC2=NC=C(C=N2)C=O

PubChem CID 33589542
CAS 108002-87-5
Molecular Weight (g/mol) 199.213
SMILES C1=CC=C(C=C1)NC2=NC=C(C=N2)C=O
Synonym 2-phenylamino pyrimidine-5-carbaldehyde,2-anilinopyrimidine-5-carboxaldehyde,2-phenylamino pyrimidine-5-carboxaldehyde,2-anilinopyrimidine-5-carbaldehyde
IUPAC Name 2-anilinopyrimidine-5-carbaldehyde
InChI Key QNFHXIZSGIGYOU-UHFFFAOYSA-N
Molecular Formula C11H9N3O
9

6-piperidin-1-ylnicotinaldehyde, Thermo Scientific™

CAS: 241816-11-5 Molecular Formula: C11H14N2O Molecular Weight (g/mol): 190.246 InChI Key: RKIMIISNVCLRLA-UHFFFAOYSA-N Synonym: 6-piperidin-1-ylnicotinaldehyde,6-piperidin-1-yl nicotinaldehyde,6-piperidin-1-yl pyridine-3-carbaldehyde,6-piperidinonicotinaldehyde,6-1-piperidinyl nicotinaldehyde,6-1-piperidinyl pyridine-3-carboxaldehyde,6-piperidylpyridine-3-carbaldehyde,acmc-20alxp,3-pyridinecarboxaldehyde,6-1-piperidinyl,3,4,5,6-tetrahydro-2h-1,2' bipyridinyl-5'-carbaldehyde PubChem CID: 2763980 IUPAC Name: 6-piperidin-1-ylpyridine-3-carbaldehyde SMILES: C1CCN(CC1)C2=NC=C(C=C2)C=O

PubChem CID 2763980
CAS 241816-11-5
Molecular Weight (g/mol) 190.246
SMILES C1CCN(CC1)C2=NC=C(C=C2)C=O
Synonym 6-piperidin-1-ylnicotinaldehyde,6-piperidin-1-yl nicotinaldehyde,6-piperidin-1-yl pyridine-3-carbaldehyde,6-piperidinonicotinaldehyde,6-1-piperidinyl nicotinaldehyde,6-1-piperidinyl pyridine-3-carboxaldehyde,6-piperidylpyridine-3-carbaldehyde,acmc-20alxp,3-pyridinecarboxaldehyde,6-1-piperidinyl,3,4,5,6-tetrahydro-2h-1,2' bipyridinyl-5'-carbaldehyde
IUPAC Name 6-piperidin-1-ylpyridine-3-carbaldehyde
InChI Key RKIMIISNVCLRLA-UHFFFAOYSA-N
Molecular Formula C11H14N2O
11

4'-Formyl(1,1'-biphenyl)-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 70916-98-2 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.23 MDL Number: MFCD03424613 InChI Key: JCEAFZUEUSBESW-UHFFFAOYSA-N Synonym: 4-4-formylphenyl benzoic acid,4'-formylbiphenyl-4-carboxylic acid,4'-formyl-1,1'-biphenyl-4-carboxylic acid,4'-formyl-biphenyl-4-carboxylic acid,4-biphenyl-4'-formyl-carboxylic acid,4'-formyl 1,1'-biphenyl-4-carboxylic acid,1,1'-biphenyl-4-carboxylic acid, 4'-formyl,4-biphenyl-4'-formyl-carboxylicacid,pubchem10282 PubChem CID: 2794722 SMILES: OC(=O)C1=CC=C(C=C1)C1=CC=C(C=O)C=C1

PubChem CID 2794722
CAS 70916-98-2
Molecular Weight (g/mol) 226.23
MDL Number MFCD03424613
SMILES OC(=O)C1=CC=C(C=C1)C1=CC=C(C=O)C=C1
Synonym 4-4-formylphenyl benzoic acid,4'-formylbiphenyl-4-carboxylic acid,4'-formyl-1,1'-biphenyl-4-carboxylic acid,4'-formyl-biphenyl-4-carboxylic acid,4-biphenyl-4'-formyl-carboxylic acid,4'-formyl 1,1'-biphenyl-4-carboxylic acid,1,1'-biphenyl-4-carboxylic acid, 4'-formyl,4-biphenyl-4'-formyl-carboxylicacid,pubchem10282
InChI Key JCEAFZUEUSBESW-UHFFFAOYSA-N
Molecular Formula C14H10O3
12

3-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde, 97%, Thermo Scientific™

CAS: 306936-57-2 Molecular Formula: C10H7FN2O Molecular Weight (g/mol): 190.177 MDL Number: MFCD01922131 InChI Key: CMXTUUXWJBLVEH-UHFFFAOYSA-N Synonym: 3-4-fluorophenyl-1h-pyrazole-4-carbaldehyde,5-4-fluorophenyl-1h-pyrazole-4-carbaldehyde,3-4-fluorophenyl-1h-pyrazole-4-carboxaldehyde,3-4-fluorophenyl pyrazole-4-carboxaldehyde,5-4-fluorophenyl pyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde, 3-4-fluorophenyl,3-4-fluorophenyl-2h-pyrazole-4-carbaldehyde,acmc-1ajet,fluorophenylpyrazolecarbaldehyde,pyrazole-4-carboxaldehyde, 3-4-fluorophenyl PubChem CID: 605439 IUPAC Name: 5-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde SMILES: C1=CC(=CC=C1C2=C(C=NN2)C=O)F

PubChem CID 605439
CAS 306936-57-2
Molecular Weight (g/mol) 190.177
MDL Number MFCD01922131
SMILES C1=CC(=CC=C1C2=C(C=NN2)C=O)F
Synonym 3-4-fluorophenyl-1h-pyrazole-4-carbaldehyde,5-4-fluorophenyl-1h-pyrazole-4-carbaldehyde,3-4-fluorophenyl-1h-pyrazole-4-carboxaldehyde,3-4-fluorophenyl pyrazole-4-carboxaldehyde,5-4-fluorophenyl pyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde, 3-4-fluorophenyl,3-4-fluorophenyl-2h-pyrazole-4-carbaldehyde,acmc-1ajet,fluorophenylpyrazolecarbaldehyde,pyrazole-4-carboxaldehyde, 3-4-fluorophenyl
IUPAC Name 5-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde
InChI Key CMXTUUXWJBLVEH-UHFFFAOYSA-N
Molecular Formula C10H7FN2O
13

Ethyl 2,4-dioxo-4-(2-thienyl)butanoate, 90%, Thermo Scientific™

CAS: 36983-36-5 Molecular Formula: C10H10O4S Molecular Weight (g/mol): 226.246 MDL Number: MFCD00126316 InChI Key: GCCFYXYKJZUHMI-UHFFFAOYSA-N Synonym: ethyl 2,4-dioxo-4-thiophen-2-yl butanoate,ethyl 2,4-dioxo-4-2-thienyl butanoate,2,4-dioxo-4-thiophen-2-yl-butyric acid ethyl ester,2-thiophenebutanoicacid, a,g-dioxo-, ethyl ester,2,4-dioxo-4-2-thienyl butanoic acid ethyl ester,2,4-dioxo-4-thiophen-2-ylbutyric acid ethyl ester PubChem CID: 2799459 IUPAC Name: ethyl 2,4-dioxo-4-thiophen-2-ylbutanoate SMILES: CCOC(=O)C(=O)CC(=O)C1=CC=CS1

PubChem CID 2799459
CAS 36983-36-5
Molecular Weight (g/mol) 226.246
MDL Number MFCD00126316
SMILES CCOC(=O)C(=O)CC(=O)C1=CC=CS1
Synonym ethyl 2,4-dioxo-4-thiophen-2-yl butanoate,ethyl 2,4-dioxo-4-2-thienyl butanoate,2,4-dioxo-4-thiophen-2-yl-butyric acid ethyl ester,2-thiophenebutanoicacid, a,g-dioxo-, ethyl ester,2,4-dioxo-4-2-thienyl butanoic acid ethyl ester,2,4-dioxo-4-thiophen-2-ylbutyric acid ethyl ester
IUPAC Name ethyl 2,4-dioxo-4-thiophen-2-ylbutanoate
InChI Key GCCFYXYKJZUHMI-UHFFFAOYSA-N
Molecular Formula C10H10O4S
14

5-Methyl-2-phenyl-3-furaldehyde, 97%, Thermo Scientific™

CAS: 157836-53-8 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD08690281 InChI Key: KWEAOVDZILYEET-UHFFFAOYSA-N Synonym: 5-methyl-2-phenyl-3-furaldehyde,3-furancarboxaldehyde,5-methyl-2-phenyl PubChem CID: 10397534 IUPAC Name: 5-methyl-2-phenylfuran-3-carbaldehyde SMILES: CC1=CC(C=O)=C(O1)C1=CC=CC=C1

PubChem CID 10397534
CAS 157836-53-8
Molecular Weight (g/mol) 186.21
MDL Number MFCD08690281
SMILES CC1=CC(C=O)=C(O1)C1=CC=CC=C1
Synonym 5-methyl-2-phenyl-3-furaldehyde,3-furancarboxaldehyde,5-methyl-2-phenyl
IUPAC Name 5-methyl-2-phenylfuran-3-carbaldehyde
InChI Key KWEAOVDZILYEET-UHFFFAOYSA-N
Molecular Formula C12H10O2
15

6-(Diethylamino)-3-pyridinylaldehyde, 97%, Thermo Scientific™

CAS: 578726-67-7 Molecular Formula: C10H14N2O Molecular Weight (g/mol): 178.24 MDL Number: MFCD06200894 InChI Key: PCISUIMHLSRKGR-UHFFFAOYSA-N Synonym: 6-diethylamino pyridine-3-carbaldehyde,6-diethylamino-3-pyridinylaldehyde,6-diethylamino nicotinaldehyde,6-diethylamino-3-pyridinecarboxaldehyde PubChem CID: 2794806 IUPAC Name: 6-(diethylamino)pyridine-3-carbaldehyde SMILES: CCN(CC)C1=NC=C(C=O)C=C1

PubChem CID 2794806
CAS 578726-67-7
Molecular Weight (g/mol) 178.24
MDL Number MFCD06200894
SMILES CCN(CC)C1=NC=C(C=O)C=C1
Synonym 6-diethylamino pyridine-3-carbaldehyde,6-diethylamino-3-pyridinylaldehyde,6-diethylamino nicotinaldehyde,6-diethylamino-3-pyridinecarboxaldehyde
IUPAC Name 6-(diethylamino)pyridine-3-carbaldehyde
InChI Key PCISUIMHLSRKGR-UHFFFAOYSA-N
Molecular Formula C10H14N2O