Carbonyl compounds
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3-Hydroxybenzaldehyde, 98.5%
CAS: 100-83-4 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 MDL Number: MFCD00003368 InChI Key: IAVREABSGIHHMO-UHFFFAOYSA-N Synonym: m-formylphenol,m-hydroxybenzaldehyde,3-formylphenol,benzaldehyde, 3-hydroxy,meta-hydroxybenzaldehyde,benzaldehyde, m-hydroxy,3-hydroxy-benzaldehyde,3-hydroxy benzaldehyde,3-hydroxybenzaldehyd,3-hydroxylbenzaldehyde PubChem CID: 101 ChEBI: CHEBI:16207 IUPAC Name: 3-hydroxybenzaldehyde SMILES: C1=CC(=CC(=C1)O)C=O
| PubChem CID | 101 |
|---|---|
| CAS | 100-83-4 |
| Molecular Weight (g/mol) | 122.12 |
| ChEBI | CHEBI:16207 |
| MDL Number | MFCD00003368 |
| SMILES | C1=CC(=CC(=C1)O)C=O |
| Synonym | m-formylphenol,m-hydroxybenzaldehyde,3-formylphenol,benzaldehyde, 3-hydroxy,meta-hydroxybenzaldehyde,benzaldehyde, m-hydroxy,3-hydroxy-benzaldehyde,3-hydroxy benzaldehyde,3-hydroxybenzaldehyd,3-hydroxylbenzaldehyde |
| IUPAC Name | 3-hydroxybenzaldehyde |
| InChI Key | IAVREABSGIHHMO-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
Oxalacetic acid, 98%
CAS: 328-42-7 Molecular Formula: C4H4O5 Molecular Weight (g/mol): 132.07 MDL Number: MFCD00002592 InChI Key: KHPXUQMNIQBQEV-UHFFFAOYSA-N Synonym: oxalacetic acid,oxaloacetic acid,2-oxosuccinic acid,oxaloacetate,ketosuccinic acid,oxosuccinic acid,2-ketosuccinic acid,butanedioic acid, oxo,oxobutanedioic acid,oxalacetate PubChem CID: 970 ChEBI: CHEBI:30744 IUPAC Name: 2-oxobutanedioic acid SMILES: C(C(=O)C(=O)O)C(=O)O
| PubChem CID | 970 |
|---|---|
| CAS | 328-42-7 |
| Molecular Weight (g/mol) | 132.07 |
| ChEBI | CHEBI:30744 |
| MDL Number | MFCD00002592 |
| SMILES | C(C(=O)C(=O)O)C(=O)O |
| Synonym | oxalacetic acid,oxaloacetic acid,2-oxosuccinic acid,oxaloacetate,ketosuccinic acid,oxosuccinic acid,2-ketosuccinic acid,butanedioic acid, oxo,oxobutanedioic acid,oxalacetate |
| IUPAC Name | 2-oxobutanedioic acid |
| InChI Key | KHPXUQMNIQBQEV-UHFFFAOYSA-N |
| Molecular Formula | C4H4O5 |
3-Furaldehyde, 98%, stabilized
CAS: 498-60-2 Molecular Formula: C5H4O2 Molecular Weight (g/mol): 96.08 InChI Key: AZVSIHIBYRHSLB-UHFFFAOYSA-N Synonym: 3-furaldehyde,3-furancarboxaldehyde,furan-3-carboxaldehyde,3-formylfuran,3-furfural,unii-pob632x444,3furaldehyde,3-furancarbaldehyde,pubchem6948 PubChem CID: 10351 ChEBI: CHEBI:87609 IUPAC Name: furan-3-carbaldehyde SMILES: C1=COC=C1C=O
| PubChem CID | 10351 |
|---|---|
| CAS | 498-60-2 |
| Molecular Weight (g/mol) | 96.08 |
| ChEBI | CHEBI:87609 |
| SMILES | C1=COC=C1C=O |
| Synonym | 3-furaldehyde,3-furancarboxaldehyde,furan-3-carboxaldehyde,3-formylfuran,3-furfural,unii-pob632x444,3furaldehyde,3-furancarbaldehyde,pubchem6948 |
| IUPAC Name | furan-3-carbaldehyde |
| InChI Key | AZVSIHIBYRHSLB-UHFFFAOYSA-N |
| Molecular Formula | C5H4O2 |
2-Furaldehyde, 98%
CAS: 98-01-1 Molecular Formula: C5H4O2 Molecular Weight (g/mol): 96.09 MDL Number: MFCD00003229 InChI Key: HYBBIBNJHNGZAN-UHFFFAOYSA-N Synonym: furfural,2-furaldehyde,2-furancarboxaldehyde,furaldehyde,2-formylfuran,furfuraldehyde,fural,2-furanaldehyde,2-furancarbonal,2-furfural PubChem CID: 7362 ChEBI: CHEBI:34768 IUPAC Name: furan-2-carbaldehyde SMILES: O=CC1=CC=CO1
| PubChem CID | 7362 |
|---|---|
| CAS | 98-01-1 |
| Molecular Weight (g/mol) | 96.09 |
| ChEBI | CHEBI:34768 |
| MDL Number | MFCD00003229 |
| SMILES | O=CC1=CC=CO1 |
| Synonym | furfural,2-furaldehyde,2-furancarboxaldehyde,furaldehyde,2-formylfuran,furfuraldehyde,fural,2-furanaldehyde,2-furancarbonal,2-furfural |
| IUPAC Name | furan-2-carbaldehyde |
| InChI Key | HYBBIBNJHNGZAN-UHFFFAOYSA-N |
| Molecular Formula | C5H4O2 |
Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)bismuth(III), 99.9%
CAS: 142617-53-6 Molecular Formula: C33H57BiO6 Molecular Weight (g/mol): 758.793 MDL Number: MFCD00064763 InChI Key: ZNHBPQSSVCRFST-LWTKGLMZSA-K Synonym: tris 2,2,6,6-tetramethyl-3,5-heptanedionato bismuth iii,bismuth iii tetramethylheptanedionate,4z-5-bis 3z-2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl oxy bismuthanyl oxy-2,2,6,6-tetramethylhept-4-en-3-one PubChem CID: 16717622 IUPAC Name: (Z)-5-bis[[(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl]oxy]bismuthanyloxy-2,2,6,6-tetramethylhept-4-en-3-one SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)O[Bi](OC(=CC(=O)C(C)(C)C)C(C)(C)C)OC(=CC(=O)C(C)(C)C)C(C)(C)C
| PubChem CID | 16717622 |
|---|---|
| CAS | 142617-53-6 |
| Molecular Weight (g/mol) | 758.793 |
| MDL Number | MFCD00064763 |
| SMILES | CC(C)(C)C(=CC(=O)C(C)(C)C)O[Bi](OC(=CC(=O)C(C)(C)C)C(C)(C)C)OC(=CC(=O)C(C)(C)C)C(C)(C)C |
| Synonym | tris 2,2,6,6-tetramethyl-3,5-heptanedionato bismuth iii,bismuth iii tetramethylheptanedionate,4z-5-bis 3z-2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl oxy bismuthanyl oxy-2,2,6,6-tetramethylhept-4-en-3-one |
| IUPAC Name | (Z)-5-bis[[(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl]oxy]bismuthanyloxy-2,2,6,6-tetramethylhept-4-en-3-one |
| InChI Key | ZNHBPQSSVCRFST-LWTKGLMZSA-K |
| Molecular Formula | C33H57BiO6 |
2-Chloro-4-hydroxybenzaldehyde, 97%
CAS: 56962-11-9 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00052184 InChI Key: ZMOMCILMBYEGLD-UHFFFAOYSA-N Synonym: benzaldehyde, 2-chloro-4-hydroxy,2-chloro-4-hydroxy-benzaldehyde,benzaldehyde, chloro-4-hydroxy,2-chloro-4-hydroxybenzaldehyde,pubchem7366,acmc-209lv6,ksc497o6r,2-chlor-4-hydroxy-benzaldehyd,2-chloranyl-4-oxidanyl-benzaldehyde PubChem CID: 185363 IUPAC Name: 2-chloro-4-hydroxybenzaldehyde SMILES: C1=CC(=C(C=C1O)Cl)C=O
| PubChem CID | 185363 |
|---|---|
| CAS | 56962-11-9 |
| Molecular Weight (g/mol) | 156.565 |
| MDL Number | MFCD00052184 |
| SMILES | C1=CC(=C(C=C1O)Cl)C=O |
| Synonym | benzaldehyde, 2-chloro-4-hydroxy,2-chloro-4-hydroxy-benzaldehyde,benzaldehyde, chloro-4-hydroxy,2-chloro-4-hydroxybenzaldehyde,pubchem7366,acmc-209lv6,ksc497o6r,2-chlor-4-hydroxy-benzaldehyd,2-chloranyl-4-oxidanyl-benzaldehyde |
| IUPAC Name | 2-chloro-4-hydroxybenzaldehyde |
| InChI Key | ZMOMCILMBYEGLD-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |
Ethyl 2-oxocyclohexanecarboxylate, 95%
CAS: 1655-07-8 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.21 MDL Number: MFCD00001631 InChI Key: FGSGHBPKHFDJOP-UHFFFAOYNA-N Synonym: ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate PubChem CID: 95543 IUPAC Name: ethyl 2-oxocyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCCCC1=O
| PubChem CID | 95543 |
|---|---|
| CAS | 1655-07-8 |
| Molecular Weight (g/mol) | 170.21 |
| MDL Number | MFCD00001631 |
| SMILES | CCOC(=O)C1CCCCC1=O |
| Synonym | ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate |
| IUPAC Name | ethyl 2-oxocyclohexane-1-carboxylate |
| InChI Key | FGSGHBPKHFDJOP-UHFFFAOYNA-N |
| Molecular Formula | C9H14O3 |
Malonic acid disodium salt, 99%
CAS: 141-95-7 Molecular Formula: C3H2Na2O4 Molecular Weight (g/mol): 148.025 MDL Number: MFCD00002708 InChI Key: PRWXGRGLHYDWPS-UHFFFAOYSA-L Synonym: sodium malonate,disodium malonate,propanedioic acid, disodium salt,malonic acid disodium salt,disodium propanedioate,malonic acid, sodium salt,unii-9qwe64m39h,propanedioic acid, sodium salt 1:2,malonic acid, disodium salt,dicarboxymethane disodium salt PubChem CID: 8865 ChEBI: CHEBI:62983 IUPAC Name: disodium;propanedioate SMILES: C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]
| PubChem CID | 8865 |
|---|---|
| CAS | 141-95-7 |
| Molecular Weight (g/mol) | 148.025 |
| ChEBI | CHEBI:62983 |
| MDL Number | MFCD00002708 |
| SMILES | C(C(=O)[O-])C(=O)[O-].[Na+].[Na+] |
| Synonym | sodium malonate,disodium malonate,propanedioic acid, disodium salt,malonic acid disodium salt,disodium propanedioate,malonic acid, sodium salt,unii-9qwe64m39h,propanedioic acid, sodium salt 1:2,malonic acid, disodium salt,dicarboxymethane disodium salt |
| IUPAC Name | disodium;propanedioate |
| InChI Key | PRWXGRGLHYDWPS-UHFFFAOYSA-L |
| Molecular Formula | C3H2Na2O4 |
Ethyl Acetoacetate, Extra Pure, SLR, Fisher Chemical™
CAS: 141-97-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: 9199 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) | 130.143 |
| ChEBI | CHEBI:4893 |
| MDL Number | 9199 |
| 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 |
Benzyl methyl malonate, 95%
CAS: 52267-39-7 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.21 MDL Number: MFCD00008461 InChI Key: IAUZDBFOEWAQFE-UHFFFAOYSA-N Synonym: benzyl methyl malonate,1-benzyl 3-methyl propanedioate,malonic acid 1-benzyl 3-methyl ester,propanedioic acid, methyl phenylmethyl ester,benzylmethyl malonate,methyl benzyl malonate,acmc-1b0zd,benzyl methyl propanedioate,ksc493e1f PubChem CID: 572135 IUPAC Name: 3-O-benzyl 1-O-methyl propanedioate SMILES: COC(=O)CC(=O)OCC1=CC=CC=C1
| PubChem CID | 572135 |
|---|---|
| CAS | 52267-39-7 |
| Molecular Weight (g/mol) | 208.21 |
| MDL Number | MFCD00008461 |
| SMILES | COC(=O)CC(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl methyl malonate,1-benzyl 3-methyl propanedioate,malonic acid 1-benzyl 3-methyl ester,propanedioic acid, methyl phenylmethyl ester,benzylmethyl malonate,methyl benzyl malonate,acmc-1b0zd,benzyl methyl propanedioate,ksc493e1f |
| IUPAC Name | 3-O-benzyl 1-O-methyl propanedioate |
| InChI Key | IAUZDBFOEWAQFE-UHFFFAOYSA-N |
| Molecular Formula | C11H12O4 |
2-Fluoro-5-(trifluoromethoxy)benzaldehyde, 97%, Thermo Scientific™
CAS: 886497-81-0 Molecular Formula: C8H4F4O2 Molecular Weight (g/mol): 208.112 MDL Number: MFCD04115886 InChI Key: FMDGCHMPSCBYFX-UHFFFAOYSA-N PubChem CID: 2783324 IUPAC Name: 2-fluoro-5-(trifluoromethoxy)benzaldehyde SMILES: C1=CC(=C(C=C1OC(F)(F)F)C=O)F
| PubChem CID | 2783324 |
|---|---|
| CAS | 886497-81-0 |
| Molecular Weight (g/mol) | 208.112 |
| MDL Number | MFCD04115886 |
| SMILES | C1=CC(=C(C=C1OC(F)(F)F)C=O)F |
| IUPAC Name | 2-fluoro-5-(trifluoromethoxy)benzaldehyde |
| InChI Key | FMDGCHMPSCBYFX-UHFFFAOYSA-N |
| Molecular Formula | C8H4F4O2 |
4'-n-Butylacetophenone, 97%
CAS: 37920-25-5 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.26 MDL Number: MFCD00017500 InChI Key: MQESVSITPLILCO-UHFFFAOYSA-N Synonym: 4'-butylacetophenone,1-4-butylphenyl ethanone,ethanone, 1-4-butylphenyl,p-butylacetophenone,1-4-butylphenyl ethan-1-one,p-n-butylacetophenone,4'-n-butylacetophenone,unii-6738cf9z8v,1-acetyl-4-butylbenzene,1-4-butyl-phenyl ethanone PubChem CID: 123470 IUPAC Name: 1-(4-butylphenyl)ethanone SMILES: CCCCC1=CC=C(C=C1)C(C)=O
| PubChem CID | 123470 |
|---|---|
| CAS | 37920-25-5 |
| Molecular Weight (g/mol) | 176.26 |
| MDL Number | MFCD00017500 |
| SMILES | CCCCC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-butylacetophenone,1-4-butylphenyl ethanone,ethanone, 1-4-butylphenyl,p-butylacetophenone,1-4-butylphenyl ethan-1-one,p-n-butylacetophenone,4'-n-butylacetophenone,unii-6738cf9z8v,1-acetyl-4-butylbenzene,1-4-butyl-phenyl ethanone |
| IUPAC Name | 1-(4-butylphenyl)ethanone |
| InChI Key | MQESVSITPLILCO-UHFFFAOYSA-N |
| Molecular Formula | C12H16O |
3-Acetylbenzenesulfonyl chloride, 97%
CAS: 73035-16-2 Molecular Formula: C8H7ClO3S Molecular Weight (g/mol): 218.651 MDL Number: MFCD03424979 InChI Key: CGMBNEIGZOCPPP-UHFFFAOYSA-N Synonym: 3-acetylbenzene-1-sulfonyl chloride,3-acetylphenylsulfonyl chloride,3-acetyl benzenesulfonyl chloride,benzenesulfonylchloride, 3-acetyl,m-chlorosulfonylacetophenone,3-acetyl-benzenesulfonyl chloride,benzenesulfonyl chloride, 3-acetyl,benzene sulfonylchloride 3-acetyl,benzenesulfonyl chloride, 3-acetyl-9ci PubChem CID: 2756260 IUPAC Name: 3-acetylbenzenesulfonyl chloride SMILES: CC(=O)C1=CC(=CC=C1)S(=O)(=O)Cl
| PubChem CID | 2756260 |
|---|---|
| CAS | 73035-16-2 |
| Molecular Weight (g/mol) | 218.651 |
| MDL Number | MFCD03424979 |
| SMILES | CC(=O)C1=CC(=CC=C1)S(=O)(=O)Cl |
| Synonym | 3-acetylbenzene-1-sulfonyl chloride,3-acetylphenylsulfonyl chloride,3-acetyl benzenesulfonyl chloride,benzenesulfonylchloride, 3-acetyl,m-chlorosulfonylacetophenone,3-acetyl-benzenesulfonyl chloride,benzenesulfonyl chloride, 3-acetyl,benzene sulfonylchloride 3-acetyl,benzenesulfonyl chloride, 3-acetyl-9ci |
| IUPAC Name | 3-acetylbenzenesulfonyl chloride |
| InChI Key | CGMBNEIGZOCPPP-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO3S |
4'-Bromo-2,2,2-trifluoroacetophenone, 97%
CAS: 16184-89-7 Molecular Formula: C8H4BrF3O Molecular Weight (g/mol): 253.018 MDL Number: MFCD00191862 InChI Key: IHGSAQHSAGRWNI-UHFFFAOYSA-N Synonym: 4'-bromo-2,2,2-trifluoroacetophenone,1-4-bromophenyl-2,2,2-trifluoroethanone,1-4-bromophenyl-2,2,2-trifluoroethan-1-one,1-4-bromo-phenyl-2,2,2-trifluoro-ethanone,ethanone, 1-4-bromophenyl-2,2,2-trifluoro,1-4-bromophenyl-2,2,2-trifluoro-1-ethanone,intermediates-zcf02216,4-trifluoroacetylbromobenzene,4'-bromo-2,2,2-trifluoracetophenone,4'-bromo-2,2,2-trifluoroaceto-phenone PubChem CID: 603866 IUPAC Name: 1-(4-bromophenyl)-2,2,2-trifluoroethanone SMILES: C1=CC(=CC=C1C(=O)C(F)(F)F)Br
| PubChem CID | 603866 |
|---|---|
| CAS | 16184-89-7 |
| Molecular Weight (g/mol) | 253.018 |
| MDL Number | MFCD00191862 |
| SMILES | C1=CC(=CC=C1C(=O)C(F)(F)F)Br |
| Synonym | 4'-bromo-2,2,2-trifluoroacetophenone,1-4-bromophenyl-2,2,2-trifluoroethanone,1-4-bromophenyl-2,2,2-trifluoroethan-1-one,1-4-bromo-phenyl-2,2,2-trifluoro-ethanone,ethanone, 1-4-bromophenyl-2,2,2-trifluoro,1-4-bromophenyl-2,2,2-trifluoro-1-ethanone,intermediates-zcf02216,4-trifluoroacetylbromobenzene,4'-bromo-2,2,2-trifluoracetophenone,4'-bromo-2,2,2-trifluoroaceto-phenone |
| IUPAC Name | 1-(4-bromophenyl)-2,2,2-trifluoroethanone |
| InChI Key | IHGSAQHSAGRWNI-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrF3O |