Carbonyl compounds
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Ethyl acetoacetate, 99+%, extra pure
CAS: 141-97-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00009199 InChI Key: XYIBRDXRRQCHLP-UHFFFAOYSA-N Synonym: ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C
| PubChem CID | 8868 |
|---|---|
| CAS | 141-97-9 |
| Molecular Weight (g/mol) | 130.14 |
| ChEBI | CHEBI:4893 |
| MDL Number | MFCD00009199 |
| SMILES | CCOC(=O)CC(=O)C |
| Synonym | ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate |
| IUPAC Name | ethyl 3-oxobutanoate |
| InChI Key | XYIBRDXRRQCHLP-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
2,4-Dihydroxybenzaldehyde, 98%
CAS: 95-01-2 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00011686 InChI Key: IUNJCFABHJZSKB-UHFFFAOYSA-N Synonym: beta-resorcylaldehyde,4-hydroxysalicylaldehyde,4-formylresorcinol,beta-resorcaldehyde,benzaldehyde, 2,4-dihydroxy,beta-resorcinaldehyde,beta-resorcylic aldehyde,2,4-dihydroxybenzenecarbonal,salicylaldehyde, 4-hydroxy,4-hydroxysalicyladehyde PubChem CID: 7213 ChEBI: CHEBI:50198 IUPAC Name: 2,4-dihydroxybenzaldehyde SMILES: OC1=CC=C(C=O)C(O)=C1
| PubChem CID | 7213 |
|---|---|
| CAS | 95-01-2 |
| Molecular Weight (g/mol) | 138.12 |
| ChEBI | CHEBI:50198 |
| MDL Number | MFCD00011686 |
| SMILES | OC1=CC=C(C=O)C(O)=C1 |
| Synonym | beta-resorcylaldehyde,4-hydroxysalicylaldehyde,4-formylresorcinol,beta-resorcaldehyde,benzaldehyde, 2,4-dihydroxy,beta-resorcinaldehyde,beta-resorcylic aldehyde,2,4-dihydroxybenzenecarbonal,salicylaldehyde, 4-hydroxy,4-hydroxysalicyladehyde |
| IUPAC Name | 2,4-dihydroxybenzaldehyde |
| InChI Key | IUNJCFABHJZSKB-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
1,3-Benzothiazole-6-carboxaldehyde, 97%
CAS: 19989-67-4 Molecular Formula: C8H5NOS Molecular Weight (g/mol): 163.2 InChI Key: AVSFPLJXSHRMHM-UHFFFAOYSA-N Synonym: 6-benzothiazolecarboxaldehyde,benzo d thiazole-6-carbaldehyde,1,3-benzothiazole-6-carboxaldehyde,6-formylbenzothiazole,benzothiazol-6-carboxaldehyde,6-benzothiazolecarbaldehyde,1?3-benzothiazole-6-carboxaldehyde,6-benzo d thiazolecarboxaldehyde,6-benzothiazolecarboxaldehyde 8ci,9ci PubChem CID: 15089709 IUPAC Name: 1,3-benzothiazole-6-carbaldehyde SMILES: C1=CC2=C(C=C1C=O)SC=N2
| PubChem CID | 15089709 |
|---|---|
| CAS | 19989-67-4 |
| Molecular Weight (g/mol) | 163.2 |
| SMILES | C1=CC2=C(C=C1C=O)SC=N2 |
| Synonym | 6-benzothiazolecarboxaldehyde,benzo d thiazole-6-carbaldehyde,1,3-benzothiazole-6-carboxaldehyde,6-formylbenzothiazole,benzothiazol-6-carboxaldehyde,6-benzothiazolecarbaldehyde,1?3-benzothiazole-6-carboxaldehyde,6-benzo d thiazolecarboxaldehyde,6-benzothiazolecarboxaldehyde 8ci,9ci |
| IUPAC Name | 1,3-benzothiazole-6-carbaldehyde |
| InChI Key | AVSFPLJXSHRMHM-UHFFFAOYSA-N |
| Molecular Formula | C8H5NOS |
3-(1-Methyl-1H-pyrazol-3-yl)benzaldehyde, 90%, Thermo Scientific™
CAS: 179056-79-2 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.21 MDL Number: MFCD08669912 InChI Key: SSAPUQDWKCUIAR-UHFFFAOYSA-N PubChem CID: 10511755 IUPAC Name: 3-(1-methylpyrazol-3-yl)benzaldehyde SMILES: CN1C=CC(=N1)C1=CC(C=O)=CC=C1
| PubChem CID | 10511755 |
|---|---|
| CAS | 179056-79-2 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD08669912 |
| SMILES | CN1C=CC(=N1)C1=CC(C=O)=CC=C1 |
| IUPAC Name | 3-(1-methylpyrazol-3-yl)benzaldehyde |
| InChI Key | SSAPUQDWKCUIAR-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O |
4-Chromanone, 96%
CAS: 491-37-2 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00006840 InChI Key: MSTDXOZUKAQDRL-UHFFFAOYSA-N Synonym: 4-chromanone,chroman-4-one,chromanone,4h-1-benzopyran-4-one, 2,3-dihydro,2,3-dihydro-4h-chromen-4-one,2,3-dihydro-1-benzopyran-4-one,isochromanone,3,4-dihydro-2h-1-benzopyran-4-one,2,3-dihydro-4h-1-benzopyran-4-one,dihydrochromone PubChem CID: 68110 IUPAC Name: 2,3-dihydrochromen-4-one SMILES: C1COC2=CC=CC=C2C1=O
| PubChem CID | 68110 |
|---|---|
| CAS | 491-37-2 |
| Molecular Weight (g/mol) | 148.16 |
| MDL Number | MFCD00006840 |
| SMILES | C1COC2=CC=CC=C2C1=O |
| Synonym | 4-chromanone,chroman-4-one,chromanone,4h-1-benzopyran-4-one, 2,3-dihydro,2,3-dihydro-4h-chromen-4-one,2,3-dihydro-1-benzopyran-4-one,isochromanone,3,4-dihydro-2h-1-benzopyran-4-one,2,3-dihydro-4h-1-benzopyran-4-one,dihydrochromone |
| IUPAC Name | 2,3-dihydrochromen-4-one |
| InChI Key | MSTDXOZUKAQDRL-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
4-Bromosalicylaldehyde, 97%
CAS: 22532-62-3 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.019 MDL Number: MFCD06252606 InChI Key: HXTWKHXDFATMSP-UHFFFAOYSA-N Synonym: 4-bromosalicylaldehyde,4-bromo-2-hydroxy-benzaldehyde,2-hydroxy-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-hydroxy,4-bromo-2-hydroxybenzaldheyde,4-bromosalicyladehyde,pubchem16944,acmc-1cq5t,intermediates-zcf02605,4-bromo-2-hydroxybenaldehyde PubChem CID: 4066019 IUPAC Name: 4-bromo-2-hydroxybenzaldehyde SMILES: C1=CC(=C(C=C1Br)O)C=O
| PubChem CID | 4066019 |
|---|---|
| CAS | 22532-62-3 |
| Molecular Weight (g/mol) | 201.019 |
| MDL Number | MFCD06252606 |
| SMILES | C1=CC(=C(C=C1Br)O)C=O |
| Synonym | 4-bromosalicylaldehyde,4-bromo-2-hydroxy-benzaldehyde,2-hydroxy-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-hydroxy,4-bromo-2-hydroxybenzaldheyde,4-bromosalicyladehyde,pubchem16944,acmc-1cq5t,intermediates-zcf02605,4-bromo-2-hydroxybenaldehyde |
| IUPAC Name | 4-bromo-2-hydroxybenzaldehyde |
| InChI Key | HXTWKHXDFATMSP-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO2 |
Isovanillin, Spectrum™ Chemical
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CAS: 621-59-0
| CAS | 621-59-0 |
|---|
Salicylaldehyde, BAKER™, J.T. Baker™
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 |
Octyl aldehyde, 99%
CAS: 124-13-0 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.22 MDL Number: MFCD00007029 InChI Key: NUJGJRNETVAIRJ-UHFFFAOYSA-N Synonym: caprylic aldehyde,caprylaldehyde,n-octanal,1-octanal,n-octyl aldehyde,n-octaldehyde,n-caprylaldehyde,octanaldehyde,aldehyde c-8,n-octylal PubChem CID: 454 ChEBI: CHEBI:17935 IUPAC Name: octanal SMILES: CCCCCCCC=O
| PubChem CID | 454 |
|---|---|
| CAS | 124-13-0 |
| Molecular Weight (g/mol) | 128.22 |
| ChEBI | CHEBI:17935 |
| MDL Number | MFCD00007029 |
| SMILES | CCCCCCCC=O |
| Synonym | caprylic aldehyde,caprylaldehyde,n-octanal,1-octanal,n-octyl aldehyde,n-octaldehyde,n-caprylaldehyde,octanaldehyde,aldehyde c-8,n-octylal |
| IUPAC Name | octanal |
| InChI Key | NUJGJRNETVAIRJ-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
3-Phenylpropionaldehyde, 94.9%, MP Biomedicals™
CAS: 104-53-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 InChI Key: YGCZTXZTJXYWCO-UHFFFAOYSA-N Synonym: benzenepropanal,3-phenylpropionaldehyde,hydrocinnamaldehyde,hydrocinnamic aldehyde,dihydrocinnamaldehyde,benzylacetaldehyde,3-phenyl-1-propanal,3-phenylpropylaldehyde,3-phenylpropyl aldehyde,propanal, phenyl PubChem CID: 7707 IUPAC Name: 3-phenylpropanal SMILES: C1=CC=C(C=C1)CCC=O
| PubChem CID | 7707 |
|---|---|
| CAS | 104-53-0 |
| Molecular Weight (g/mol) | 134.178 |
| SMILES | C1=CC=C(C=C1)CCC=O |
| Synonym | benzenepropanal,3-phenylpropionaldehyde,hydrocinnamaldehyde,hydrocinnamic aldehyde,dihydrocinnamaldehyde,benzylacetaldehyde,3-phenyl-1-propanal,3-phenylpropylaldehyde,3-phenylpropyl aldehyde,propanal, phenyl |
| IUPAC Name | 3-phenylpropanal |
| InChI Key | YGCZTXZTJXYWCO-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
Malonyl dichloride, 97%
CAS: 1663-67-8 Molecular Formula: C3H2Cl2O2 Molecular Weight (g/mol): 140.95 MDL Number: MFCD00000735 InChI Key: SXYFKXOFMCIXQW-UHFFFAOYSA-N Synonym: malonyl chloride,malonyl dichloride,malonoyl chloride,malonic acid dichloride,malonoyl dichloride,malonic acid chloride,malonylchloride,methane-1,1-dicarbonyl chloride,malonylchlorid,malonyldichloride PubChem CID: 74269 IUPAC Name: propanedioyl dichloride SMILES: C(C(=O)Cl)C(=O)Cl
| PubChem CID | 74269 |
|---|---|
| CAS | 1663-67-8 |
| Molecular Weight (g/mol) | 140.95 |
| MDL Number | MFCD00000735 |
| SMILES | C(C(=O)Cl)C(=O)Cl |
| Synonym | malonyl chloride,malonyl dichloride,malonoyl chloride,malonic acid dichloride,malonoyl dichloride,malonic acid chloride,malonylchloride,methane-1,1-dicarbonyl chloride,malonylchlorid,malonyldichloride |
| IUPAC Name | propanedioyl dichloride |
| InChI Key | SXYFKXOFMCIXQW-UHFFFAOYSA-N |
| Molecular Formula | C3H2Cl2O2 |
1,8-Dichloroanthraquinone, MP Biomedicals
CAS: 82-43-9 Molecular Formula: C14H6Cl2O2 Molecular Weight (g/mol): 277.1 InChI Key: VBQNYYXVDQUKIU-UHFFFAOYSA-N Synonym: 1,8-dichloroanthraquinone,9,10-anthracenedione, 1,8-dichloro,1,8-dichloranthrachinon,1,8-dichloro-9,10-anthraquinone,anthraquinone, 1,8-dichloro,1,8-dichloranthrachinon czech,acmc-1bmbx,9, 1,8-dichloro,anthraquinone,8-dichloro PubChem CID: 6708 IUPAC Name: 1,8-dichloroanthracene-9,10-dione SMILES: C1=CC2=C(C(=C1)Cl)C(=O)C3=C(C2=O)C=CC=C3Cl
| PubChem CID | 6708 |
|---|---|
| CAS | 82-43-9 |
| Molecular Weight (g/mol) | 277.1 |
| SMILES | C1=CC2=C(C(=C1)Cl)C(=O)C3=C(C2=O)C=CC=C3Cl |
| Synonym | 1,8-dichloroanthraquinone,9,10-anthracenedione, 1,8-dichloro,1,8-dichloranthrachinon,1,8-dichloro-9,10-anthraquinone,anthraquinone, 1,8-dichloro,1,8-dichloranthrachinon czech,acmc-1bmbx,9, 1,8-dichloro,anthraquinone,8-dichloro |
| IUPAC Name | 1,8-dichloroanthracene-9,10-dione |
| InChI Key | VBQNYYXVDQUKIU-UHFFFAOYSA-N |
| Molecular Formula | C14H6Cl2O2 |
Decanophenone, 98+%
CAS: 6048-82-4 Molecular Formula: C16H24O Molecular Weight (g/mol): 232.37 MDL Number: MFCD00009582 InChI Key: QQXJNLYVPPBERR-UHFFFAOYSA-N Synonym: decanophenone,1-decanone, 1-phenyl,n-decanophenone,capriphenone,ketone, nonyl phenyl,ketone, nonenyl phenyl,nonyl phenyl ketone,1-phenyl-1-decanone,acmc-209mkb PubChem CID: 80148 IUPAC Name: 1-phenyldecan-1-one SMILES: CCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 80148 |
|---|---|
| CAS | 6048-82-4 |
| Molecular Weight (g/mol) | 232.37 |
| MDL Number | MFCD00009582 |
| SMILES | CCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | decanophenone,1-decanone, 1-phenyl,n-decanophenone,capriphenone,ketone, nonyl phenyl,ketone, nonenyl phenyl,nonyl phenyl ketone,1-phenyl-1-decanone,acmc-209mkb |
| IUPAC Name | 1-phenyldecan-1-one |
| InChI Key | QQXJNLYVPPBERR-UHFFFAOYSA-N |
| Molecular Formula | C16H24O |
Diethyl isobutylmalonate, 98%
CAS: 10203-58-4 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00026869 InChI Key: OFRFGNSZCYDFOH-UHFFFAOYSA-N Synonym: diethyl isobutylmalonate,isobutylmalonic acid diethyl ester,diethyl 2-isobutylmalonate,propanedioic acid, 2-methylpropyl-, diethyl ester,malonic acid, isobutyl-, diethyl ester,diethyl 2-2-methylpropyl propanedioate,ethyl 2-carbethoxy-4-methyl pentanoate,propanedioic acid, 2-2-methylpropyl-, 1,3-diethyl ester,1,3-diethyl 2-2-methylpropyl propanedioate,diethylisobutylmalonate PubChem CID: 25047 IUPAC Name: diethyl 2-(2-methylpropyl)propanedioate SMILES: CCOC(=O)C(CC(C)C)C(=O)OCC
| PubChem CID | 25047 |
|---|---|
| CAS | 10203-58-4 |
| Molecular Weight (g/mol) | 216.277 |
| MDL Number | MFCD00026869 |
| SMILES | CCOC(=O)C(CC(C)C)C(=O)OCC |
| Synonym | diethyl isobutylmalonate,isobutylmalonic acid diethyl ester,diethyl 2-isobutylmalonate,propanedioic acid, 2-methylpropyl-, diethyl ester,malonic acid, isobutyl-, diethyl ester,diethyl 2-2-methylpropyl propanedioate,ethyl 2-carbethoxy-4-methyl pentanoate,propanedioic acid, 2-2-methylpropyl-, 1,3-diethyl ester,1,3-diethyl 2-2-methylpropyl propanedioate,diethylisobutylmalonate |
| IUPAC Name | diethyl 2-(2-methylpropyl)propanedioate |
| InChI Key | OFRFGNSZCYDFOH-UHFFFAOYSA-N |
| Molecular Formula | C11H20O4 |
2-Amino-5-methylpyridine-3-carboxaldehyde, 95%
CAS: 1023814-35-8 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.154 MDL Number: MFCD09754122 InChI Key: KHLBBDOMXLJWGR-UHFFFAOYSA-N Synonym: 2-amino-5-methylnicotinaldehyde,2-amino-5-methylpyridine-3-carboxaldehyde PubChem CID: 32639818 IUPAC Name: 2-amino-5-methylpyridine-3-carbaldehyde SMILES: CC1=CN=C(C(=C1)C=O)N
| PubChem CID | 32639818 |
|---|---|
| CAS | 1023814-35-8 |
| Molecular Weight (g/mol) | 136.154 |
| MDL Number | MFCD09754122 |
| SMILES | CC1=CN=C(C(=C1)C=O)N |
| Synonym | 2-amino-5-methylnicotinaldehyde,2-amino-5-methylpyridine-3-carboxaldehyde |
| IUPAC Name | 2-amino-5-methylpyridine-3-carbaldehyde |
| InChI Key | KHLBBDOMXLJWGR-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O |