Carbonyl compounds
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Butyraldehyde, 99%
CAS: 123-72-8 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00007023 InChI Key: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N Synonym: butyraldehyde,n-butyraldehyde,butyral,1-butanal,butyric aldehyde,butanaldehyde,butaldehyde,butalyde,butal,n-butanal PubChem CID: 261 ChEBI: CHEBI:15743 IUPAC Name: butanal SMILES: CCCC=O
| PubChem CID | 261 |
|---|---|
| CAS | 123-72-8 |
| Molecular Weight (g/mol) | 72.11 |
| ChEBI | CHEBI:15743 |
| MDL Number | MFCD00007023 |
| SMILES | CCCC=O |
| Synonym | butyraldehyde,n-butyraldehyde,butyral,1-butanal,butyric aldehyde,butanaldehyde,butaldehyde,butalyde,butal,n-butanal |
| IUPAC Name | butanal |
| InChI Key | ZTQSAGDEMFDKMZ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
2-Chlorophenyl cyclopentyl ketone, 97%
CAS: 6740-85-8 Molecular Formula: C12H13ClO Molecular Weight (g/mol): 208.685 MDL Number: MFCD00038367 InChI Key: QIJMMRNZBJHXRI-UHFFFAOYSA-N Synonym: 2-chlorophenyl cyclopentyl ketone,2-chlorophenyl cyclopentyl methanone,o-chlorophenyl cyclopentyl ketone,o-chlorobenzoylcyclopentane,2-chlorophenyl-cyclopentylketone,methanone, 2-chlorophenyl cyclopentyl,2-chlorobenzoylcyclopentane,acmc-1b5a4,0-chlorphenylcyclopentylketone,1-2-chlorobenzoyl cyclopentane PubChem CID: 81223 IUPAC Name: (2-chlorophenyl)-cyclopentylmethanone SMILES: C1CCC(C1)C(=O)C2=CC=CC=C2Cl
| PubChem CID | 81223 |
|---|---|
| CAS | 6740-85-8 |
| Molecular Weight (g/mol) | 208.685 |
| MDL Number | MFCD00038367 |
| SMILES | C1CCC(C1)C(=O)C2=CC=CC=C2Cl |
| Synonym | 2-chlorophenyl cyclopentyl ketone,2-chlorophenyl cyclopentyl methanone,o-chlorophenyl cyclopentyl ketone,o-chlorobenzoylcyclopentane,2-chlorophenyl-cyclopentylketone,methanone, 2-chlorophenyl cyclopentyl,2-chlorobenzoylcyclopentane,acmc-1b5a4,0-chlorphenylcyclopentylketone,1-2-chlorobenzoyl cyclopentane |
| IUPAC Name | (2-chlorophenyl)-cyclopentylmethanone |
| InChI Key | QIJMMRNZBJHXRI-UHFFFAOYSA-N |
| Molecular Formula | C12H13ClO |
4-Bromo-1H-indole-3-carbaldehyde, 97%, Thermo Scientific™
CAS: 98600-34-1 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.057 InChI Key: IPAFHZDRYAWZOB-UHFFFAOYSA-N Synonym: 4-bromoindole-3-carboxaldehyde,4-bromoindole-3-carboxyaldehyde,4-bromo-3-formylindole,4-bromo-1h-indole-3-carboxaldehyde,4-bromoindole-3-carbaldehyde,4-bromo-3-formyl-1h-indole,1h-indole-3-carboxaldehyde, 4-bromo,4-bromo-3-indolecarbaldehyde,pubchem7682,acmc-209saq PubChem CID: 2763178 IUPAC Name: 4-bromo-1H-indole-3-carbaldehyde SMILES: C1=CC2=C(C(=C1)Br)C(=CN2)C=O
| PubChem CID | 2763178 |
|---|---|
| CAS | 98600-34-1 |
| Molecular Weight (g/mol) | 224.057 |
| SMILES | C1=CC2=C(C(=C1)Br)C(=CN2)C=O |
| Synonym | 4-bromoindole-3-carboxaldehyde,4-bromoindole-3-carboxyaldehyde,4-bromo-3-formylindole,4-bromo-1h-indole-3-carboxaldehyde,4-bromoindole-3-carbaldehyde,4-bromo-3-formyl-1h-indole,1h-indole-3-carboxaldehyde, 4-bromo,4-bromo-3-indolecarbaldehyde,pubchem7682,acmc-209saq |
| IUPAC Name | 4-bromo-1H-indole-3-carbaldehyde |
| InChI Key | IPAFHZDRYAWZOB-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO |
2-Ethylanthraquinone, 98%
CAS: 84-51-5 Molecular Formula: C16H12O2 Molecular Weight (g/mol): 236.27 MDL Number: MFCD00001237 InChI Key: SJEBAWHUJDUKQK-UHFFFAOYSA-N Synonym: 2-ethylanthraquinone,2-ethyl anthraquinone,2-ethyl-9,10-anthraquinone,anthraquinone, 2-ethyl,9,10-anthracenedione, 2-ethyl,usaf so-1,beta-ethylanthraquinone,unii-59yj81qzkd,59yj81qzkd,2-ethylanthra-9,10-quinone PubChem CID: 6772 IUPAC Name: 2-ethylanthracene-9,10-dione SMILES: CCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
| PubChem CID | 6772 |
|---|---|
| CAS | 84-51-5 |
| Molecular Weight (g/mol) | 236.27 |
| MDL Number | MFCD00001237 |
| SMILES | CCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O |
| Synonym | 2-ethylanthraquinone,2-ethyl anthraquinone,2-ethyl-9,10-anthraquinone,anthraquinone, 2-ethyl,9,10-anthracenedione, 2-ethyl,usaf so-1,beta-ethylanthraquinone,unii-59yj81qzkd,59yj81qzkd,2-ethylanthra-9,10-quinone |
| IUPAC Name | 2-ethylanthracene-9,10-dione |
| InChI Key | SJEBAWHUJDUKQK-UHFFFAOYSA-N |
| Molecular Formula | C16H12O2 |
Thermo Scientific Chemicals 2-Deoxy-D-ribose, 99%
CAS: 533-67-5 Molecular Formula: C5H10O4 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00135904 InChI Key: PDWIQYODPROSQH-GLULIZFNNA-N Synonym: 2-deoxy-d-ribose,thyminose,3s,4r-3,4,5-trihydroxypentanal,deoxyribose,2-deoxy-d-erythro-pentose,2-deoxyribose,d-drib,2-deoxy-d-arabinose,unii-lsw4h01241,2-deoxy-d-erythropentose PubChem CID: 5460005 ChEBI: CHEBI:28816 IUPAC Name: (3S,4R)-3,4,5-trihydroxypentanal SMILES: OC[C@H]1OC(O)C[C@@H]1O
| PubChem CID | 5460005 |
|---|---|
| CAS | 533-67-5 |
| Molecular Weight (g/mol) | 134.13 |
| ChEBI | CHEBI:28816 |
| MDL Number | MFCD00135904 |
| SMILES | OC[C@H]1OC(O)C[C@@H]1O |
| Synonym | 2-deoxy-d-ribose,thyminose,3s,4r-3,4,5-trihydroxypentanal,deoxyribose,2-deoxy-d-erythro-pentose,2-deoxyribose,d-drib,2-deoxy-d-arabinose,unii-lsw4h01241,2-deoxy-d-erythropentose |
| IUPAC Name | (3S,4R)-3,4,5-trihydroxypentanal |
| InChI Key | PDWIQYODPROSQH-GLULIZFNNA-N |
| Molecular Formula | C5H10O4 |
1,4-Diaminoanthraquinone 90.0+%, TCI America™
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3,5-Di-tert-butylsalicylaldehyde 98.0+%, TCI America™
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CAS: 37942-07-7 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.339 MDL Number: MFCD00191998 InChI Key: RRIQVLZDOZPJTH-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-2-hydroxybenzaldehyde,3,5-di-tert-butylsalicylaldehyde,3,5-bis 1,1-dimethylethyl-2-hydroxy-benzaldehyde,benzaldehyde, 3,5-bis 1,1-dimethylethyl-2-hydroxy,3,5-di-t-butylsalicylaldehyde,3,5-di-tert-butyl-2-hydroxy-benzaldehyde,benzaldehyde, 2-hydroxy, 3,5-di t-butyl,3,5-bis tert-butyl-2-hydroxybenzaldehyde,pubchem11247,acmc-1aete PubChem CID: 688023 IUPAC Name: 3,5-ditert-butyl-2-hydroxybenzaldehyde SMILES: CC(C)(C)C1=CC(=C(C(=C1)C=O)O)C(C)(C)C
| PubChem CID | 688023 |
|---|---|
| CAS | 37942-07-7 |
| Molecular Weight (g/mol) | 234.339 |
| MDL Number | MFCD00191998 |
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)C=O)O)C(C)(C)C |
| Synonym | 3,5-di-tert-butyl-2-hydroxybenzaldehyde,3,5-di-tert-butylsalicylaldehyde,3,5-bis 1,1-dimethylethyl-2-hydroxy-benzaldehyde,benzaldehyde, 3,5-bis 1,1-dimethylethyl-2-hydroxy,3,5-di-t-butylsalicylaldehyde,3,5-di-tert-butyl-2-hydroxy-benzaldehyde,benzaldehyde, 2-hydroxy, 3,5-di t-butyl,3,5-bis tert-butyl-2-hydroxybenzaldehyde,pubchem11247,acmc-1aete |
| IUPAC Name | 3,5-ditert-butyl-2-hydroxybenzaldehyde |
| InChI Key | RRIQVLZDOZPJTH-UHFFFAOYSA-N |
| Molecular Formula | C15H22O2 |
2-Hydroxy-3-methoxybenzaldehyde, 99%
CAS: 148-53-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00003322 InChI Key: JJVNINGBHGBWJH-UHFFFAOYSA-N Synonym: 3-methoxysalicylaldehyde,o-vanillin,6-formylguaiacol,2-vanillin,o-vanilline,benzaldehyde, 2-hydroxy-3-methoxy,orthovanilline,2-hydroxy-m-anisaldehyde,6-formyl-2-methoxyphenol,3-methoxy-2-hydroxybenzaldehyde PubChem CID: 8991 ChEBI: CHEBI:78339 IUPAC Name: 2-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC=CC(C=O)=C1O
| PubChem CID | 8991 |
|---|---|
| CAS | 148-53-8 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:78339 |
| MDL Number | MFCD00003322 |
| SMILES | COC1=CC=CC(C=O)=C1O |
| Synonym | 3-methoxysalicylaldehyde,o-vanillin,6-formylguaiacol,2-vanillin,o-vanilline,benzaldehyde, 2-hydroxy-3-methoxy,orthovanilline,2-hydroxy-m-anisaldehyde,6-formyl-2-methoxyphenol,3-methoxy-2-hydroxybenzaldehyde |
| IUPAC Name | 2-hydroxy-3-methoxybenzaldehyde |
| InChI Key | JJVNINGBHGBWJH-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
4'-Methoxyacetophenone, 99%
CAS: 100-06-1 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00008745 InChI Key: NTPLXRHDUXRPNE-UHFFFAOYSA-N Synonym: 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl PubChem CID: 7476 ChEBI: CHEBI:86567 IUPAC Name: 1-(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(C)=O
| PubChem CID | 7476 |
|---|---|
| CAS | 100-06-1 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:86567 |
| MDL Number | MFCD00008745 |
| SMILES | COC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl |
| IUPAC Name | 1-(4-methoxyphenyl)ethanone |
| InChI Key | NTPLXRHDUXRPNE-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Vanillin, 99%, pure
CAS: 121-33-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00006942,MFCD08702848 InChI Key: MWOOGOJBHIARFG-UHFFFAOYSA-N Synonym: vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde PubChem CID: 1183 ChEBI: CHEBI:18346 IUPAC Name: 4-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1O
| PubChem CID | 1183 |
|---|---|
| CAS | 121-33-5 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:18346 |
| MDL Number | MFCD00006942,MFCD08702848 |
| SMILES | COC1=CC(C=O)=CC=C1O |
| Synonym | vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde |
| IUPAC Name | 4-hydroxy-3-methoxybenzaldehyde |
| InChI Key | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Ethyl hydrogen malonate, 96%
CAS: 1071-46-1 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00020490 InChI Key: HGINADPHJQTSKN-UHFFFAOYSA-N Synonym: ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate PubChem CID: 70615 ChEBI: CHEBI:86907 IUPAC Name: 3-ethoxy-3-oxopropanoic acid SMILES: CCOC(=O)CC(=O)O
| PubChem CID | 70615 |
|---|---|
| CAS | 1071-46-1 |
| Molecular Weight (g/mol) | 132.115 |
| ChEBI | CHEBI:86907 |
| MDL Number | MFCD00020490 |
| SMILES | CCOC(=O)CC(=O)O |
| Synonym | ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate |
| IUPAC Name | 3-ethoxy-3-oxopropanoic acid |
| InChI Key | HGINADPHJQTSKN-UHFFFAOYSA-N |
| Molecular Formula | C5H8O4 |
2'-Aminoacetophenone, 97%
CAS: 551-93-9 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD00007717 InChI Key: GTDQGKWDWVUKTI-UHFFFAOYSA-N Synonym: 2'-aminoacetophenone,1-2-aminophenyl ethanone,o-aminoacetophenone,2-acetylaniline,o-acetylaniline,o-aminoacetylbenzene,1-acetyl-2-aminobenzene,1-2-aminophenyl ethan-1-one,acetophenone, 2'-amino,ethanone, 1-2-aminophenyl PubChem CID: 11086 IUPAC Name: 1-(2-aminophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1N
| PubChem CID | 11086 |
|---|---|
| CAS | 551-93-9 |
| Molecular Weight (g/mol) | 135.17 |
| MDL Number | MFCD00007717 |
| SMILES | CC(=O)C1=CC=CC=C1N |
| Synonym | 2'-aminoacetophenone,1-2-aminophenyl ethanone,o-aminoacetophenone,2-acetylaniline,o-acetylaniline,o-aminoacetylbenzene,1-acetyl-2-aminobenzene,1-2-aminophenyl ethan-1-one,acetophenone, 2'-amino,ethanone, 1-2-aminophenyl |
| IUPAC Name | 1-(2-aminophenyl)ethanone |
| InChI Key | GTDQGKWDWVUKTI-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
2,6-Dichloroindophenol, sodium salt hydrate, 90+%
CAS: 1266615-56-8 Molecular Formula: C12H6Cl2NNaO2 Molecular Weight (g/mol): 290.07 MDL Number: MFCD00150014 InChI Key: CVSUAFOWIXUYQA-UHFFFAOYSA-M Synonym: 2,6-dichloroindophenol sodium salt dihydrate,2,6-dichloro-4-4-hydroxyphenyl azamethylene cyclohexa-2,5-dien-1-one, oxamet hane, oxamethane, sodium salt,c12h6cl2no2.na.2h2o,2,6-dichlorophenol-indophenol sodium salt dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino phenolate dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino benzenolate dihydrate PubChem CID: 23696612 IUPAC Name: sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate;dihydrate SMILES: [Na+].[O-]C1=CC=C(C=C1)N=C1C=C(Cl)C(=O)C(Cl)=C1
| PubChem CID | 23696612 |
|---|---|
| CAS | 1266615-56-8 |
| Molecular Weight (g/mol) | 290.07 |
| MDL Number | MFCD00150014 |
| SMILES | [Na+].[O-]C1=CC=C(C=C1)N=C1C=C(Cl)C(=O)C(Cl)=C1 |
| Synonym | 2,6-dichloroindophenol sodium salt dihydrate,2,6-dichloro-4-4-hydroxyphenyl azamethylene cyclohexa-2,5-dien-1-one, oxamet hane, oxamethane, sodium salt,c12h6cl2no2.na.2h2o,2,6-dichlorophenol-indophenol sodium salt dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino phenolate dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino benzenolate dihydrate |
| IUPAC Name | sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate;dihydrate |
| InChI Key | CVSUAFOWIXUYQA-UHFFFAOYSA-M |
| Molecular Formula | C12H6Cl2NNaO2 |
Hydrindantin dihydrate, 96%
CAS: 5950-69-6 Molecular Formula: C18H14O8 Molecular Weight (g/mol): 358.29 MDL Number: MFCD00149242 InChI Key: QHVADKNWNMILPQ-HOTGVXAUSA-N Synonym: 2s-2,3,3-trihydroxy-2-2s-1,1,2-trihydroxy-3-oxoinden-2-yl inden-1-one PubChem CID: 6560392 IUPAC Name: (2S)-2,3,3-trihydroxy-2-[(2S)-1,1,2-trihydroxy-3-oxoinden-2-yl]inden-1-one SMILES: C1=CC=C2C(=C1)C(=O)C(C2(O)O)(C3(C(=O)C4=CC=CC=C4C3(O)O)O)O
| PubChem CID | 6560392 |
|---|---|
| CAS | 5950-69-6 |
| Molecular Weight (g/mol) | 358.29 |
| MDL Number | MFCD00149242 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(C2(O)O)(C3(C(=O)C4=CC=CC=C4C3(O)O)O)O |
| Synonym | 2s-2,3,3-trihydroxy-2-2s-1,1,2-trihydroxy-3-oxoinden-2-yl inden-1-one |
| IUPAC Name | (2S)-2,3,3-trihydroxy-2-[(2S)-1,1,2-trihydroxy-3-oxoinden-2-yl]inden-1-one |
| InChI Key | QHVADKNWNMILPQ-HOTGVXAUSA-N |
| Molecular Formula | C18H14O8 |
1-Phenylisatin, 98%
CAS: 723-89-7 Molecular Formula: C14H9NO2 Molecular Weight (g/mol): 223.231 MDL Number: MFCD00082681 InChI Key: UWCPWBIMRYXUOU-UHFFFAOYSA-N Synonym: 1-phenylisatin,1-phenylindoline-2,3-dione,1-phenyl-1h-indole-2,3-dione,1h-indole-2,3-dione, 1-phenyl,1-phenyl-indole-2,3-dione,indole-2,3-dione, 1-phenyl,1h-indole-2,3-dione, 1-phenyl-9ci,1-phenyl-2,3-dihydro-1h-indole-2,3-dione,phenylisatin,n-phenylisatin PubChem CID: 12884 IUPAC Name: 1-phenylindole-2,3-dione SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(=O)C2=O
| PubChem CID | 12884 |
|---|---|
| CAS | 723-89-7 |
| Molecular Weight (g/mol) | 223.231 |
| MDL Number | MFCD00082681 |
| SMILES | C1=CC=C(C=C1)N2C3=CC=CC=C3C(=O)C2=O |
| Synonym | 1-phenylisatin,1-phenylindoline-2,3-dione,1-phenyl-1h-indole-2,3-dione,1h-indole-2,3-dione, 1-phenyl,1-phenyl-indole-2,3-dione,indole-2,3-dione, 1-phenyl,1h-indole-2,3-dione, 1-phenyl-9ci,1-phenyl-2,3-dihydro-1h-indole-2,3-dione,phenylisatin,n-phenylisatin |
| IUPAC Name | 1-phenylindole-2,3-dione |
| InChI Key | UWCPWBIMRYXUOU-UHFFFAOYSA-N |
| Molecular Formula | C14H9NO2 |