Organooxygen compounds
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1,3-Diphenyl-2,3-epoxy-1-propanone 98.0+%, TCI America™
CAS: 5411-12-1 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00022336 InChI Key: UQGMJZQVDNZRKT-UHFFFAOYNA-N Synonym: 2-benzoyl-3-phenyloxirane,chalcone oxide,1,3-diphenyl-2,3-epoxy-1-propanone,chalcone epoxide,trans-chalcone oxide,phenyl 3-phenyloxiran-2-yl methanone,ccris 2214,trans-phenyl 3-phenyloxiranyl methanone,methanone, phenyl 3-phenyloxiranyl,phenyl 3-phenyl-2-oxiranyl methanone PubChem CID: 92219 IUPAC Name: phenyl-(3-phenyloxiran-2-yl)methanone SMILES: C1=CC=C(C=C1)C2C(O2)C(=O)C3=CC=CC=C3
| PubChem CID | 92219 |
|---|---|
| CAS | 5411-12-1 |
| Molecular Weight (g/mol) | 224.26 |
| MDL Number | MFCD00022336 |
| SMILES | C1=CC=C(C=C1)C2C(O2)C(=O)C3=CC=CC=C3 |
| Synonym | 2-benzoyl-3-phenyloxirane,chalcone oxide,1,3-diphenyl-2,3-epoxy-1-propanone,chalcone epoxide,trans-chalcone oxide,phenyl 3-phenyloxiran-2-yl methanone,ccris 2214,trans-phenyl 3-phenyloxiranyl methanone,methanone, phenyl 3-phenyloxiranyl,phenyl 3-phenyl-2-oxiranyl methanone |
| IUPAC Name | phenyl-(3-phenyloxiran-2-yl)methanone |
| InChI Key | UQGMJZQVDNZRKT-UHFFFAOYNA-N |
| Molecular Formula | C15H12O2 |
2',4'-Difluoroacetophenone 98.0+%, TCI America™
CAS: 364-83-0 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.132 MDL Number: MFCD00151261 InChI Key: QEWHNJPLPZOEKU-UHFFFAOYSA-N Synonym: 2',4'-difluoroacetophenone,1-2,4-difluorophenyl ethanone,2,4-difluoroacetophenone,1-2,4-difluorophenyl ethan-1-one,ethanone, 1-2,4-difluorophenyl,1-2,4-difluoro-phenyl-ethanone,1-acetyl-2,4-difluorobenzene,acetophenone, 2',4'-difluoro,1-2,4-difluorphenyl ethanon,pubchem4213 PubChem CID: 67770 IUPAC Name: 1-(2,4-difluorophenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)F)F
| PubChem CID | 67770 |
|---|---|
| CAS | 364-83-0 |
| Molecular Weight (g/mol) | 156.132 |
| MDL Number | MFCD00151261 |
| SMILES | CC(=O)C1=C(C=C(C=C1)F)F |
| Synonym | 2',4'-difluoroacetophenone,1-2,4-difluorophenyl ethanone,2,4-difluoroacetophenone,1-2,4-difluorophenyl ethan-1-one,ethanone, 1-2,4-difluorophenyl,1-2,4-difluoro-phenyl-ethanone,1-acetyl-2,4-difluorobenzene,acetophenone, 2',4'-difluoro,1-2,4-difluorphenyl ethanon,pubchem4213 |
| IUPAC Name | 1-(2,4-difluorophenyl)ethanone |
| InChI Key | QEWHNJPLPZOEKU-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O |
2',6'-Dichloroacetophenone 98.0+%, TCI America™
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 |
1,4-Bisbenzil 97.0+%, TCI America™
CAS: 3363-97-1 Molecular Formula: C22H14O4 Molecular Weight (g/mol): 342.35 MDL Number: MFCD00039561 InChI Key: FUEGWHHUYNHBNI-UHFFFAOYSA-N Synonym: 1,4-Bis(benzoylcarbonyl)benzene PubChem CID: 137905 IUPAC Name: 1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione SMILES: O=C(C(=O)C1=CC=C(C=C1)C(=O)C(=O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 137905 |
|---|---|
| CAS | 3363-97-1 |
| Molecular Weight (g/mol) | 342.35 |
| MDL Number | MFCD00039561 |
| SMILES | O=C(C(=O)C1=CC=C(C=C1)C(=O)C(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1,4-Bis(benzoylcarbonyl)benzene |
| IUPAC Name | 1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione |
| InChI Key | FUEGWHHUYNHBNI-UHFFFAOYSA-N |
| Molecular Formula | C22H14O4 |
3,3-Dimethyl-2-oxobutyric Acid 98.0+%, TCI America™
CAS: 815-17-8 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00154352 InChI Key: IAWVHZJZHDSEOC-UHFFFAOYSA-N Synonym: 3,3-dimethyl-2-oxobutyric acid,trimethylpyruvic acid,butanoic acid, 3,3-dimethyl-2-oxo,pyruvic acid, trimethyl,glyoxylic acid, tert-butyl,unii-29cl615clh,3,3-dimethyl-2-oxo-butanoic acid,butyric acid, 3,3-dimethyl-2-oxo,tert-butylglyoxylic acid,trimethlpyruvic acid PubChem CID: 13150 IUPAC Name: 3,3-dimethyl-2-oxobutanoic acid SMILES: CC(C)(C)C(=O)C(=O)O
| PubChem CID | 13150 |
|---|---|
| CAS | 815-17-8 |
| Molecular Weight (g/mol) | 130.143 |
| MDL Number | MFCD00154352 |
| SMILES | CC(C)(C)C(=O)C(=O)O |
| Synonym | 3,3-dimethyl-2-oxobutyric acid,trimethylpyruvic acid,butanoic acid, 3,3-dimethyl-2-oxo,pyruvic acid, trimethyl,glyoxylic acid, tert-butyl,unii-29cl615clh,3,3-dimethyl-2-oxo-butanoic acid,butyric acid, 3,3-dimethyl-2-oxo,tert-butylglyoxylic acid,trimethlpyruvic acid |
| IUPAC Name | 3,3-dimethyl-2-oxobutanoic acid |
| InChI Key | IAWVHZJZHDSEOC-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
2-(Dimethylamino)-6-propionylnaphthalene 98.0+%, TCI America™
CAS: 70504-01-7 Molecular Formula: C15H17NO Molecular Weight (g/mol): 227.31 MDL Number: MFCD00056615 InChI Key: MPPQGYCZBNURDG-UHFFFAOYSA-N Synonym: Prodan PubChem CID: 107729 ChEBI: CHEBI:51909 IUPAC Name: 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one SMILES: CCC(=O)C1=CC=C2C=C(C=CC2=C1)N(C)C
| PubChem CID | 107729 |
|---|---|
| CAS | 70504-01-7 |
| Molecular Weight (g/mol) | 227.31 |
| ChEBI | CHEBI:51909 |
| MDL Number | MFCD00056615 |
| SMILES | CCC(=O)C1=CC=C2C=C(C=CC2=C1)N(C)C |
| Synonym | Prodan |
| IUPAC Name | 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one |
| InChI Key | MPPQGYCZBNURDG-UHFFFAOYSA-N |
| Molecular Formula | C15H17NO |
2,2,2-Trifluoro-4'-methoxyacetophenone 98.0+%, TCI America™
CAS: 711-38-6 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.148 MDL Number: MFCD00018061 InChI Key: NCJZVRPXSSYDBG-UHFFFAOYSA-N PubChem CID: 136555 IUPAC Name: 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(=O)C(F)(F)F
| PubChem CID | 136555 |
|---|---|
| CAS | 711-38-6 |
| Molecular Weight (g/mol) | 204.148 |
| MDL Number | MFCD00018061 |
| SMILES | COC1=CC=C(C=C1)C(=O)C(F)(F)F |
| IUPAC Name | 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanone |
| InChI Key | NCJZVRPXSSYDBG-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |
Benzoylacetonitrile 98.0+%, TCI America™
CAS: 614-16-4 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00001942 InChI Key: ZJRCIQAMTAINCB-UHFFFAOYSA-N Synonym: benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile PubChem CID: 64799 ChEBI: CHEBI:51855 IUPAC Name: 3-oxo-3-phenylpropanenitrile SMILES: O=C(CC#N)C1=CC=CC=C1
| PubChem CID | 64799 |
|---|---|
| CAS | 614-16-4 |
| Molecular Weight (g/mol) | 145.16 |
| ChEBI | CHEBI:51855 |
| MDL Number | MFCD00001942 |
| SMILES | O=C(CC#N)C1=CC=CC=C1 |
| Synonym | benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile |
| IUPAC Name | 3-oxo-3-phenylpropanenitrile |
| InChI Key | ZJRCIQAMTAINCB-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
3'-Bromo-4'-hydroxyacetophenone 98.0+%, TCI America™
CAS: 1836-06-2 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD05663950 InChI Key: LEXAYGVHWYOOAB-UHFFFAOYSA-N PubChem CID: 608094 IUPAC Name: 1-(3-bromo-4-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)O)Br
| PubChem CID | 608094 |
|---|---|
| CAS | 1836-06-2 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD05663950 |
| SMILES | CC(=O)C1=CC(=C(C=C1)O)Br |
| IUPAC Name | 1-(3-bromo-4-hydroxyphenyl)ethanone |
| InChI Key | LEXAYGVHWYOOAB-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
3-Benzoylpyridine 99.0+%, TCI America™
CAS: 5424-19-1 Molecular Formula: C12H9NO Molecular Weight (g/mol): 183.21 MDL Number: MFCD00006394 InChI Key: RYMBAPVTUHZCNF-UHFFFAOYSA-N Synonym: 3-benzoylpyridine,phenyl pyridin-3-yl methanone,phenyl 3-pyridyl ketone,methanone, phenyl-3-pyridinyl,pyridine, 3-benzoyl,3-pyridyl phenyl ketone,ketone, phenyl 3-pyridyl,3-benzoyl pyridine,phenyl-b-pyridyl ketone,phenyl 3-pyridinyl methanone PubChem CID: 21540 IUPAC Name: phenyl(pyridin-3-yl)methanone SMILES: C1=CC=C(C=C1)C(=O)C2=CN=CC=C2
| PubChem CID | 21540 |
|---|---|
| CAS | 5424-19-1 |
| Molecular Weight (g/mol) | 183.21 |
| MDL Number | MFCD00006394 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CN=CC=C2 |
| Synonym | 3-benzoylpyridine,phenyl pyridin-3-yl methanone,phenyl 3-pyridyl ketone,methanone, phenyl-3-pyridinyl,pyridine, 3-benzoyl,3-pyridyl phenyl ketone,ketone, phenyl 3-pyridyl,3-benzoyl pyridine,phenyl-b-pyridyl ketone,phenyl 3-pyridinyl methanone |
| IUPAC Name | phenyl(pyridin-3-yl)methanone |
| InChI Key | RYMBAPVTUHZCNF-UHFFFAOYSA-N |
| Molecular Formula | C12H9NO |
| PubChem CID | 3702122 |
|---|---|
| CAS | 149104-90-5 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (4-acetylphenyl)boronic acid |
| InChI Key | OBQRODBYVNIZJU-UHFFFAOYSA-N |
| Molecular Formula | C8H9BO3 |
| Formula Weight | 163.97 |
| Melting Point | 239°C |
Ethyl (2,3,4,5-Tetrafluorobenzoyl)acetate 98.0+%, TCI America™
CAS: 94695-50-8 Molecular Formula: C11H8F4O3 Molecular Weight (g/mol): 264.176 MDL Number: MFCD00523020 InChI Key: KWDVJYLIAJHEOW-UHFFFAOYSA-N Synonym: (2,3,4,5-Tetrafluorobenzoyl)acetic Acid Ethyl Ester, Ethyl 3-Oxo-3-(2,3,4,5-tetrafluorophenyl)propionate, 3-Oxo-3-(2,3,4,5-tetrafluorophenyl)propionic Acid Ethyl Ester PubChem CID: 600916 IUPAC Name: ethyl 3-oxo-3-(2,3,4,5-tetrafluorophenyl)propanoate SMILES: CCOC(=O)CC(=O)C1=CC(=C(C(=C1F)F)F)F
| PubChem CID | 600916 |
|---|---|
| CAS | 94695-50-8 |
| Molecular Weight (g/mol) | 264.176 |
| MDL Number | MFCD00523020 |
| SMILES | CCOC(=O)CC(=O)C1=CC(=C(C(=C1F)F)F)F |
| Synonym | (2,3,4,5-Tetrafluorobenzoyl)acetic Acid Ethyl Ester, Ethyl 3-Oxo-3-(2,3,4,5-tetrafluorophenyl)propionate, 3-Oxo-3-(2,3,4,5-tetrafluorophenyl)propionic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-oxo-3-(2,3,4,5-tetrafluorophenyl)propanoate |
| InChI Key | KWDVJYLIAJHEOW-UHFFFAOYSA-N |
| Molecular Formula | C11H8F4O3 |
4,4'-Difluorobenzil 98.0+%, TCI America™
CAS: 579-39-5 Molecular Formula: C14H8F2O2 Molecular Weight (g/mol): 246.213 MDL Number: MFCD00134541 InChI Key: BRKULQOUSCHDGS-UHFFFAOYSA-N Synonym: 4,4'-difluorobenzil,1,2-bis 4-fluorophenyl ethane-1,2-dione,ethanedione, bis 4-fluorophenyl,4,4'-difluorodibenzoyl,1,2-ethanedione, 1,2-bis 4-fluorophenyl,bis 4-fluorophenyl ethane-1,2-dione,difluorobenzil,4,4'difluorobenzil,pubchem7683,acmc-1aylx PubChem CID: 123072 IUPAC Name: 1,2-bis(4-fluorophenyl)ethane-1,2-dione SMILES: C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)F)F
| PubChem CID | 123072 |
|---|---|
| CAS | 579-39-5 |
| Molecular Weight (g/mol) | 246.213 |
| MDL Number | MFCD00134541 |
| SMILES | C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)F)F |
| Synonym | 4,4'-difluorobenzil,1,2-bis 4-fluorophenyl ethane-1,2-dione,ethanedione, bis 4-fluorophenyl,4,4'-difluorodibenzoyl,1,2-ethanedione, 1,2-bis 4-fluorophenyl,bis 4-fluorophenyl ethane-1,2-dione,difluorobenzil,4,4'difluorobenzil,pubchem7683,acmc-1aylx |
| IUPAC Name | 1,2-bis(4-fluorophenyl)ethane-1,2-dione |
| InChI Key | BRKULQOUSCHDGS-UHFFFAOYSA-N |
| Molecular Formula | C14H8F2O2 |
7-Bromoisatin 97.0+%, TCI America™
CAS: 20780-74-9 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.029 MDL Number: MFCD00774354 InChI Key: OCVKSIWBTJCXPV-UHFFFAOYSA-N Synonym: 7-bromoisatin,7-bromoindoline-2,3-dione,7-bromo-2,3-dioxoindoline,1h-indole-2,3-dione, 7-bromo,7-bromoindole-2,3-dione,7-bromo-2,3-dihydro-1h-indole-2,3-dione,7-bromoindole-1h-2,3-dione,7-bromo-2,3-indolinedione,7-bromo isatin,7-bromo-isatin PubChem CID: 2302353 IUPAC Name: 7-bromo-1H-indole-2,3-dione SMILES: C1=CC2=C(C(=C1)Br)NC(=O)C2=O
| PubChem CID | 2302353 |
|---|---|
| CAS | 20780-74-9 |
| Molecular Weight (g/mol) | 226.029 |
| MDL Number | MFCD00774354 |
| SMILES | C1=CC2=C(C(=C1)Br)NC(=O)C2=O |
| Synonym | 7-bromoisatin,7-bromoindoline-2,3-dione,7-bromo-2,3-dioxoindoline,1h-indole-2,3-dione, 7-bromo,7-bromoindole-2,3-dione,7-bromo-2,3-dihydro-1h-indole-2,3-dione,7-bromoindole-1h-2,3-dione,7-bromo-2,3-indolinedione,7-bromo isatin,7-bromo-isatin |
| IUPAC Name | 7-bromo-1H-indole-2,3-dione |
| InChI Key | OCVKSIWBTJCXPV-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrNO2 |
3-Bromopyruvic Acid 98.0+%, TCI America™
CAS: 1113-59-3 Molecular Formula: C3H3BrO3 Molecular Weight (g/mol): 166.958 MDL Number: MFCD00002587 InChI Key: PRRZDZJYSJLDBS-UHFFFAOYSA-N Synonym: 3-bromopyruvic acid,bromopyruvic acid,bromopyruvate,3-bromopyruvate,3-bromo-2-oxopropionic acid,bromopyruvicacid,pyruvic acid, bromo,propanoic acid, 3-bromo-2-oxo,unii-63jmv04grk,.beta.-bromopyruvic acid PubChem CID: 70684 IUPAC Name: 3-bromo-2-oxopropanoic acid SMILES: C(C(=O)C(=O)O)Br
| PubChem CID | 70684 |
|---|---|
| CAS | 1113-59-3 |
| Molecular Weight (g/mol) | 166.958 |
| MDL Number | MFCD00002587 |
| SMILES | C(C(=O)C(=O)O)Br |
| Synonym | 3-bromopyruvic acid,bromopyruvic acid,bromopyruvate,3-bromopyruvate,3-bromo-2-oxopropionic acid,bromopyruvicacid,pyruvic acid, bromo,propanoic acid, 3-bromo-2-oxo,unii-63jmv04grk,.beta.-bromopyruvic acid |
| IUPAC Name | 3-bromo-2-oxopropanoic acid |
| InChI Key | PRRZDZJYSJLDBS-UHFFFAOYSA-N |
| Molecular Formula | C3H3BrO3 |