Carbonyl compounds
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5'-Fluoro-2'-hydroxyacetophenone 98.0+%, TCI America™
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CAS: 394-32-1 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00011668 InChI Key: KOFFXZYMDLWRHX-UHFFFAOYSA-N Synonym: 5'-fluoro-2'-hydroxyacetophenone,1-5-fluoro-2-hydroxyphenyl ethanone,1-5-fluoro-2-hydroxyphenyl ethan-1-one,5-fluoro-2-hydroxyacetophenone,1-5-fluoro-2-hydroxyphenyl-1-ethanone,2-hydroxy-5-fluoroacetophenone,2'-hydroxy-5'-fluoroacetophenone,ethanone, 1-5-fluoro-2-hydroxyphenyl,5'-fluoro-2'-hydroxy acetophenone,5'-fluoro-2'-hydroxy-acetophenone PubChem CID: 95992 IUPAC Name: 1-(5-fluoro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)F)O
| PubChem CID | 95992 |
|---|---|
| CAS | 394-32-1 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00011668 |
| SMILES | CC(=O)C1=C(C=CC(=C1)F)O |
| Synonym | 5'-fluoro-2'-hydroxyacetophenone,1-5-fluoro-2-hydroxyphenyl ethanone,1-5-fluoro-2-hydroxyphenyl ethan-1-one,5-fluoro-2-hydroxyacetophenone,1-5-fluoro-2-hydroxyphenyl-1-ethanone,2-hydroxy-5-fluoroacetophenone,2'-hydroxy-5'-fluoroacetophenone,ethanone, 1-5-fluoro-2-hydroxyphenyl,5'-fluoro-2'-hydroxy acetophenone,5'-fluoro-2'-hydroxy-acetophenone |
| IUPAC Name | 1-(5-fluoro-2-hydroxyphenyl)ethanone |
| InChI Key | KOFFXZYMDLWRHX-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
4-(3-Fluorobenzyloxy)benzaldehyde 98.0+%, TCI America™
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CAS: 66742-57-2 Molecular Formula: C14H11FO2 Molecular Weight (g/mol): 230.238 MDL Number: MFCD02605317 InChI Key: DNKSIIHRKWTIRH-UHFFFAOYSA-N PubChem CID: 880119 IUPAC Name: 4-[(3-fluorophenyl)methoxy]benzaldehyde SMILES: C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)C=O
| PubChem CID | 880119 |
|---|---|
| CAS | 66742-57-2 |
| Molecular Weight (g/mol) | 230.238 |
| MDL Number | MFCD02605317 |
| SMILES | C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)C=O |
| IUPAC Name | 4-[(3-fluorophenyl)methoxy]benzaldehyde |
| InChI Key | DNKSIIHRKWTIRH-UHFFFAOYSA-N |
| Molecular Formula | C14H11FO2 |
1,4-Diamino-2,3-dichloroanthraquinone 93.0+%, TCI America™
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CAS: 81-42-5 Molecular Formula: C14H8Cl2N2O2 Molecular Weight (g/mol): 307.13 MDL Number: MFCD00035693 InChI Key: KZYAYVSWIPZDKL-UHFFFAOYSA-N Synonym: Disperse Violet 28 PubChem CID: 65731 IUPAC Name: 1,4-diamino-2,3-dichloro-9,10-dihydroanthracene-9,10-dione SMILES: NC1=C(Cl)C(Cl)=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O
| PubChem CID | 65731 |
|---|---|
| CAS | 81-42-5 |
| Molecular Weight (g/mol) | 307.13 |
| MDL Number | MFCD00035693 |
| SMILES | NC1=C(Cl)C(Cl)=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O |
| Synonym | Disperse Violet 28 |
| IUPAC Name | 1,4-diamino-2,3-dichloro-9,10-dihydroanthracene-9,10-dione |
| InChI Key | KZYAYVSWIPZDKL-UHFFFAOYSA-N |
| Molecular Formula | C14H8Cl2N2O2 |
Diethyl (2-Cyanoethyl)malonate 98.0+%, TCI America™
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CAS: 17216-62-5 Molecular Formula: C10H15NO4 Molecular Weight (g/mol): 213.233 MDL Number: MFCD00001966 InChI Key: YJJLOESDBPRZIP-UHFFFAOYSA-N Synonym: diethyl 2-2-cyanoethyl malonate,diethyl 2-cyanoethyl malonate,1,3-diethyl 2-2-cyanoethyl propanedioate,diethyl2-2-cyanoethyl malonate,diethyl 2-2-cyanoethyl-malonate,propanedioic acid, 2-cyanoethyl-, diethyl ester,2-cyanoethylmalonic acid diethylester,diethyl 2-2-cyanoethyl propane-1,3-dioate,pubchem14162 PubChem CID: 87005 IUPAC Name: diethyl 2-(2-cyanoethyl)propanedioate SMILES: CCOC(=O)C(CCC#N)C(=O)OCC
| PubChem CID | 87005 |
|---|---|
| CAS | 17216-62-5 |
| Molecular Weight (g/mol) | 213.233 |
| MDL Number | MFCD00001966 |
| SMILES | CCOC(=O)C(CCC#N)C(=O)OCC |
| Synonym | diethyl 2-2-cyanoethyl malonate,diethyl 2-cyanoethyl malonate,1,3-diethyl 2-2-cyanoethyl propanedioate,diethyl2-2-cyanoethyl malonate,diethyl 2-2-cyanoethyl-malonate,propanedioic acid, 2-cyanoethyl-, diethyl ester,2-cyanoethylmalonic acid diethylester,diethyl 2-2-cyanoethyl propane-1,3-dioate,pubchem14162 |
| IUPAC Name | diethyl 2-(2-cyanoethyl)propanedioate |
| InChI Key | YJJLOESDBPRZIP-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO4 |
3-Acetylpyridine N-Oxide 98.0+%, TCI America™
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CAS: 14188-94-4 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00955798 InChI Key: AZFMFGIMDGBJRR-UHFFFAOYSA-N PubChem CID: 123338 IUPAC Name: 1-(1-oxidopyridin-1-ium-3-yl)ethanone SMILES: CC(=O)C1=C[N+](=CC=C1)[O-]
| PubChem CID | 123338 |
|---|---|
| CAS | 14188-94-4 |
| Molecular Weight (g/mol) | 137.138 |
| MDL Number | MFCD00955798 |
| SMILES | CC(=O)C1=C[N+](=CC=C1)[O-] |
| IUPAC Name | 1-(1-oxidopyridin-1-ium-3-yl)ethanone |
| InChI Key | AZFMFGIMDGBJRR-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
3',5'-Difluoroacetophenone 97.0+%, TCI America™
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CAS: 123577-99-1 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.13 MDL Number: MFCD00042489 InChI Key: OXJLDNSPGPBDCP-UHFFFAOYSA-N Synonym: 3',5'-difluoroacetophenone,3,5-difluoroacetophenone,1-3,5-difluorophenyl ethanone,1-3,5-difluorophenyl ethan-1-one,ethanone, 1-3,5-difluorophenyl,1-acetyl-3,5-difluorobenzene,1-3,5-difluoro-phenyl-ethanone,pubchem2179,acmc-1cacd,3,5-di-fluoroacetophenone PubChem CID: 518596 IUPAC Name: 1-(3,5-difluorophenyl)ethan-1-one SMILES: CC(=O)C1=CC(F)=CC(F)=C1
| PubChem CID | 518596 |
|---|---|
| CAS | 123577-99-1 |
| Molecular Weight (g/mol) | 156.13 |
| MDL Number | MFCD00042489 |
| SMILES | CC(=O)C1=CC(F)=CC(F)=C1 |
| Synonym | 3',5'-difluoroacetophenone,3,5-difluoroacetophenone,1-3,5-difluorophenyl ethanone,1-3,5-difluorophenyl ethan-1-one,ethanone, 1-3,5-difluorophenyl,1-acetyl-3,5-difluorobenzene,1-3,5-difluoro-phenyl-ethanone,pubchem2179,acmc-1cacd,3,5-di-fluoroacetophenone |
| IUPAC Name | 1-(3,5-difluorophenyl)ethan-1-one |
| InChI Key | OXJLDNSPGPBDCP-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O |
2'-Methylacetophenone 98.0+%, TCI America™
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CAS: 577-16-2 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00008734 InChI Key: YXWWHNCQZBVZPV-UHFFFAOYSA-N Synonym: 2'-methylacetophenone,1-o-tolyl ethanone,2-methylacetophenone,o-methylacetophenone,2-acetyltoluene,o-acetyltoluene,1-2-methylphenyl ethanone,ethanone, 1-2-methylphenyl,2'-methylacetylphenone,acetophenone, 2'-methyl PubChem CID: 11340 IUPAC Name: 1-(2-methylphenyl)ethanone SMILES: CC1=CC=CC=C1C(=O)C
| PubChem CID | 11340 |
|---|---|
| CAS | 577-16-2 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00008734 |
| SMILES | CC1=CC=CC=C1C(=O)C |
| Synonym | 2'-methylacetophenone,1-o-tolyl ethanone,2-methylacetophenone,o-methylacetophenone,2-acetyltoluene,o-acetyltoluene,1-2-methylphenyl ethanone,ethanone, 1-2-methylphenyl,2'-methylacetylphenone,acetophenone, 2'-methyl |
| IUPAC Name | 1-(2-methylphenyl)ethanone |
| InChI Key | YXWWHNCQZBVZPV-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
2-Bromo-4'-methylacetophenone 98.0+%, TCI America™
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CAS: 619-41-0 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 MDL Number: MFCD00000203 InChI Key: KRVGXFREOJHJAX-UHFFFAOYSA-N Synonym: 2-bromo-4'-methylacetophenone,2-bromo-1-p-tolyl ethanone,4-methylphenacyl bromide,2-bromo-1-4-methylphenyl ethanone,2-bromo-1-p-tolylethanone,2-bromo-4-methylacetophenone,2-bromo-1-4-methylphenyl ethan-1-one,acetophenone, 2-bromo-4'-methyl,ethanone, 2-bromo-1-4-methylphenyl,p-methylphenacyl bromide PubChem CID: 69272 IUPAC Name: 2-bromo-1-(4-methylphenyl)ethanone SMILES: CC1=CC=C(C=C1)C(=O)CBr
| PubChem CID | 69272 |
|---|---|
| CAS | 619-41-0 |
| Molecular Weight (g/mol) | 213.074 |
| MDL Number | MFCD00000203 |
| SMILES | CC1=CC=C(C=C1)C(=O)CBr |
| Synonym | 2-bromo-4'-methylacetophenone,2-bromo-1-p-tolyl ethanone,4-methylphenacyl bromide,2-bromo-1-4-methylphenyl ethanone,2-bromo-1-p-tolylethanone,2-bromo-4-methylacetophenone,2-bromo-1-4-methylphenyl ethan-1-one,acetophenone, 2-bromo-4'-methyl,ethanone, 2-bromo-1-4-methylphenyl,p-methylphenacyl bromide |
| IUPAC Name | 2-bromo-1-(4-methylphenyl)ethanone |
| InChI Key | KRVGXFREOJHJAX-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO |
4H-Indeno[1,2-b]thiophen-4-one 98.0+%, TCI America™
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CAS: 5706-08-1 Molecular Formula: C11H6OS Molecular Weight (g/mol): 186.23 InChI Key: WSOJIQBCVMSHLB-UHFFFAOYSA-N PubChem CID: 12872762 IUPAC Name: indeno[1,2-b]thiophen-4-one SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=CS3
| PubChem CID | 12872762 |
|---|---|
| CAS | 5706-08-1 |
| Molecular Weight (g/mol) | 186.23 |
| SMILES | C1=CC=C2C(=C1)C3=C(C2=O)C=CS3 |
| IUPAC Name | indeno[1,2-b]thiophen-4-one |
| InChI Key | WSOJIQBCVMSHLB-UHFFFAOYSA-N |
| Molecular Formula | C11H6OS |
8-Quinolinecarboxaldehyde 95.0+%, TCI America™
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CAS: 38707-70-9 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.172 MDL Number: MFCD00805837 InChI Key: OVZQVGZERAFSPI-UHFFFAOYSA-N Synonym: 8-quinolinecarboxaldehyde,8-quinolinecarbaldehyde,quinoline-8-carboxaldehyde,8-quinoline carbaldehyde,8-formylquinoline,ccris 6968,timtec-bb sbb010129,8-quinolinecarboaldehyde,acmc-209j1k,ksc224g8j PubChem CID: 170103 IUPAC Name: quinoline-8-carbaldehyde SMILES: C1=CC2=C(C(=C1)C=O)N=CC=C2
| PubChem CID | 170103 |
|---|---|
| CAS | 38707-70-9 |
| Molecular Weight (g/mol) | 157.172 |
| MDL Number | MFCD00805837 |
| SMILES | C1=CC2=C(C(=C1)C=O)N=CC=C2 |
| Synonym | 8-quinolinecarboxaldehyde,8-quinolinecarbaldehyde,quinoline-8-carboxaldehyde,8-quinoline carbaldehyde,8-formylquinoline,ccris 6968,timtec-bb sbb010129,8-quinolinecarboaldehyde,acmc-209j1k,ksc224g8j |
| IUPAC Name | quinoline-8-carbaldehyde |
| InChI Key | OVZQVGZERAFSPI-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO |
1-(2-Mesitylene)-1,3-butanedione 96.0+%, TCI America™
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CAS: 6450-57-3 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.269 MDL Number: MFCD00477603 InChI Key: MBZZDUHWYNESIY-UHFFFAOYSA-N Synonym: 1-(2,4,6-Trimethylbenzene)-1,3-butanedione, (2,4,6-Trimethylbenzoyl)acetone PubChem CID: 367102 IUPAC Name: 1-(2,4,6-trimethylphenyl)butane-1,3-dione SMILES: CC1=CC(=C(C(=C1)C)C(=O)CC(=O)C)C
| PubChem CID | 367102 |
|---|---|
| CAS | 6450-57-3 |
| Molecular Weight (g/mol) | 204.269 |
| MDL Number | MFCD00477603 |
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)CC(=O)C)C |
| Synonym | 1-(2,4,6-Trimethylbenzene)-1,3-butanedione, (2,4,6-Trimethylbenzoyl)acetone |
| IUPAC Name | 1-(2,4,6-trimethylphenyl)butane-1,3-dione |
| InChI Key | MBZZDUHWYNESIY-UHFFFAOYSA-N |
| Molecular Formula | C13H16O2 |
Ethyl 3-Oxo-3-(4-pyridyl)propionate 98.0+%, TCI America™
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CAS: 26377-17-3 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.20 MDL Number: MFCD00094021 InChI Key: PCJNYGPKMQQCPX-UHFFFAOYSA-N Synonym: ethyl isonicotinoylacetate,ethyl 3-oxo-3-pyridin-4-yl propanoate,ethyl 3-oxo-3-4-pyridyl propionate,ethyl 3-4-pyridyl-3-oxopropionate,3-oxo-3-pyridin-4-yl-propionic acid ethyl ester,ethyl 3-oxo-3-4-pyridinyl propanoate,ethylisonicotinoylacetate,ethyl-4-pyridoyl acetate,ethyl 3-oxo-3-4-pyridyl propanoate,4-pyridinepropanoic acid, b-oxo-, ethyl ester PubChem CID: 2735202 IUPAC Name: ethyl 3-oxo-3-(pyridin-4-yl)propanoate SMILES: CCOC(=O)CC(=O)C1=CC=NC=C1
| PubChem CID | 2735202 |
|---|---|
| CAS | 26377-17-3 |
| Molecular Weight (g/mol) | 193.20 |
| MDL Number | MFCD00094021 |
| SMILES | CCOC(=O)CC(=O)C1=CC=NC=C1 |
| Synonym | ethyl isonicotinoylacetate,ethyl 3-oxo-3-pyridin-4-yl propanoate,ethyl 3-oxo-3-4-pyridyl propionate,ethyl 3-4-pyridyl-3-oxopropionate,3-oxo-3-pyridin-4-yl-propionic acid ethyl ester,ethyl 3-oxo-3-4-pyridinyl propanoate,ethylisonicotinoylacetate,ethyl-4-pyridoyl acetate,ethyl 3-oxo-3-4-pyridyl propanoate,4-pyridinepropanoic acid, b-oxo-, ethyl ester |
| IUPAC Name | ethyl 3-oxo-3-(pyridin-4-yl)propanoate |
| InChI Key | PCJNYGPKMQQCPX-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO3 |
Hexyl Acetoacetate 97.0+%, TCI America™
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CAS: 13562-84-0 Molecular Formula: C10H18O3 Molecular Weight (g/mol): 186.25 MDL Number: MFCD00059440 InChI Key: QNZLAXONNWOLJY-UHFFFAOYSA-N Synonym: Acetoacetic Acid Hexyl Ester PubChem CID: 83577 IUPAC Name: hexyl 3-oxobutanoate SMILES: CCCCCCOC(=O)CC(C)=O
| PubChem CID | 83577 |
|---|---|
| CAS | 13562-84-0 |
| Molecular Weight (g/mol) | 186.25 |
| MDL Number | MFCD00059440 |
| SMILES | CCCCCCOC(=O)CC(C)=O |
| Synonym | Acetoacetic Acid Hexyl Ester |
| IUPAC Name | hexyl 3-oxobutanoate |
| InChI Key | QNZLAXONNWOLJY-UHFFFAOYSA-N |
| Molecular Formula | C10H18O3 |
Sodium 4-Acetylbenzenesulfonate 98.0+%, TCI America™
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CAS: 61827-67-6 Molecular Formula: C8H7NaO4S Molecular Weight (g/mol): 222.19 MDL Number: MFCD00007510 InChI Key: PUWCULQGLSPCMQ-UHFFFAOYSA-M Synonym: 4′C-Acetophenonesulfonic Acid Sodium Salt, 4-Acetylbenzenesulfonic Acid Sodium Salt PubChem CID: 23668814 IUPAC Name: sodium;4-acetylbenzenesulfonate SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
| PubChem CID | 23668814 |
|---|---|
| CAS | 61827-67-6 |
| Molecular Weight (g/mol) | 222.19 |
| MDL Number | MFCD00007510 |
| SMILES | CC(=O)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+] |
| Synonym | 4′C-Acetophenonesulfonic Acid Sodium Salt, 4-Acetylbenzenesulfonic Acid Sodium Salt |
| IUPAC Name | sodium;4-acetylbenzenesulfonate |
| InChI Key | PUWCULQGLSPCMQ-UHFFFAOYSA-M |
| Molecular Formula | C8H7NaO4S |
Salicylaldehyde 98.0+%, TCI America™
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CAS: 90-02-8 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 MDL Number: MFCD00003317 InChI Key: SMQUZDBALVYZAC-UHFFFAOYSA-N Synonym: salicylaldehyde,o-hydroxybenzaldehyde,o-formylphenol,salicylal,2-formylphenol,benzaldehyde, 2-hydroxy,salicylic aldehyde,salicyladehyde,2-hydroxy-benzaldehyde,benzaldehyde, o-hydroxy PubChem CID: 6998 ChEBI: CHEBI:16008 IUPAC Name: 2-hydroxybenzaldehyde SMILES: OC1=CC=CC=C1C=O
| PubChem CID | 6998 |
|---|---|
| CAS | 90-02-8 |
| Molecular Weight (g/mol) | 122.12 |
| ChEBI | CHEBI:16008 |
| MDL Number | MFCD00003317 |
| SMILES | OC1=CC=CC=C1C=O |
| Synonym | salicylaldehyde,o-hydroxybenzaldehyde,o-formylphenol,salicylal,2-formylphenol,benzaldehyde, 2-hydroxy,salicylic aldehyde,salicyladehyde,2-hydroxy-benzaldehyde,benzaldehyde, o-hydroxy |
| IUPAC Name | 2-hydroxybenzaldehyde |
| InChI Key | SMQUZDBALVYZAC-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |