Carbonyl compounds
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2-Bromo-4'-fluoroacetophenone, 97%
CAS: 403-29-2 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.037 MDL Number: MFCD00040830 InChI Key: ZJFWCELATJMDNO-UHFFFAOYSA-N Synonym: 2-bromo-4'-fluoroacetophenone,4-fluorophenacyl bromide,2-bromo-1-4-fluorophenyl ethanone,2-bromo-1-4-fluorophenyl ethan-1-one,p-fluorophenacyl bromide,2'-bromo-4-fluoroacetophenone,ethanone, 2-bromo-1-4-fluorophenyl,bromo-4-fluoroacetophenone,4-fluorophenacylbromide,2-bromo-1-4-fluoro-phenyl-ethanone PubChem CID: 96749 IUPAC Name: 2-bromo-1-(4-fluorophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)F
| PubChem CID | 96749 |
|---|---|
| CAS | 403-29-2 |
| Molecular Weight (g/mol) | 217.037 |
| MDL Number | MFCD00040830 |
| SMILES | C1=CC(=CC=C1C(=O)CBr)F |
| Synonym | 2-bromo-4'-fluoroacetophenone,4-fluorophenacyl bromide,2-bromo-1-4-fluorophenyl ethanone,2-bromo-1-4-fluorophenyl ethan-1-one,p-fluorophenacyl bromide,2'-bromo-4-fluoroacetophenone,ethanone, 2-bromo-1-4-fluorophenyl,bromo-4-fluoroacetophenone,4-fluorophenacylbromide,2-bromo-1-4-fluoro-phenyl-ethanone |
| IUPAC Name | 2-bromo-1-(4-fluorophenyl)ethanone |
| InChI Key | ZJFWCELATJMDNO-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
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 |
6-Pyrrolidin-1-ylpyridine-2-carbaldehyde, 97%, Thermo Scientific™
CAS: 230618-24-3 Molecular Formula: C10H12N2O Molecular Weight (g/mol): 176.22 MDL Number: MFCD08435859 InChI Key: SZOZYXCTOMKVTL-UHFFFAOYSA-N PubChem CID: 10821162 IUPAC Name: 6-pyrrolidin-1-ylpyridine-2-carbaldehyde SMILES: O=CC1=NC(=CC=C1)N1CCCC1
| PubChem CID | 10821162 |
|---|---|
| CAS | 230618-24-3 |
| Molecular Weight (g/mol) | 176.22 |
| MDL Number | MFCD08435859 |
| SMILES | O=CC1=NC(=CC=C1)N1CCCC1 |
| IUPAC Name | 6-pyrrolidin-1-ylpyridine-2-carbaldehyde |
| InChI Key | SZOZYXCTOMKVTL-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O |
1-Methyl-3-phenyl-1H-pyrazole-5-carbaldehyde, 97%, Thermo Scientific™
CAS: 864068-96-2 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.21 MDL Number: MFCD08271941 InChI Key: XFGHBJQGDDYIKS-UHFFFAOYSA-N Synonym: 1-methyl-3-phenyl-1h-pyrazole-5-carbaldehyde,1-methyl-3-phenylpyrazole-5-carbaldehyde,2-methyl-5-phenyl-2h-pyrazole-3-carbaldehyde,5-formyl-1-methyl-3-phenyl-1h-pyrazole,1h-pyrazole-5-carboxaldehyde,1-methyl-3-phenyl PubChem CID: 7537629 SMILES: CN1N=C(C=C1C=O)C1=CC=CC=C1
| PubChem CID | 7537629 |
|---|---|
| CAS | 864068-96-2 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD08271941 |
| SMILES | CN1N=C(C=C1C=O)C1=CC=CC=C1 |
| Synonym | 1-methyl-3-phenyl-1h-pyrazole-5-carbaldehyde,1-methyl-3-phenylpyrazole-5-carbaldehyde,2-methyl-5-phenyl-2h-pyrazole-3-carbaldehyde,5-formyl-1-methyl-3-phenyl-1h-pyrazole,1h-pyrazole-5-carboxaldehyde,1-methyl-3-phenyl |
| InChI Key | XFGHBJQGDDYIKS-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O |
2-Methylbutyraldehyde, 95%
CAS: 96-17-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00006984 InChI Key: BYGQBDHUGHBGMD-UHFFFAOYNA-N Synonym: 2-methylbutyraldehyde,butanal, 2-methyl,2-formylbutane,2-methylbutyric aldehyde,methylethylacetaldehyde,2-ethylpropanal,2-methyl-1-butanal,butyraldehyde, 2-methyl,acetaldehyde, ethylmethyl,alpha-methylbutanal PubChem CID: 7284 ChEBI: CHEBI:16182 IUPAC Name: 2-methylbutanal SMILES: CCC(C)C=O
| PubChem CID | 7284 |
|---|---|
| CAS | 96-17-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:16182 |
| MDL Number | MFCD00006984 |
| SMILES | CCC(C)C=O |
| Synonym | 2-methylbutyraldehyde,butanal, 2-methyl,2-formylbutane,2-methylbutyric aldehyde,methylethylacetaldehyde,2-ethylpropanal,2-methyl-1-butanal,butyraldehyde, 2-methyl,acetaldehyde, ethylmethyl,alpha-methylbutanal |
| IUPAC Name | 2-methylbutanal |
| InChI Key | BYGQBDHUGHBGMD-UHFFFAOYNA-N |
| Molecular Formula | C5H10O |
3',5'-Dimethylacetophenone, 97%
CAS: 5379-16-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD01075693 InChI Key: BKIHFZLJJUNKMZ-UHFFFAOYSA-N Synonym: 1-3,5-dimethylphenyl ethanone,3,5-dimethylacetophenone,3',5'-dimethylacetophenone,1-3,5-dimethylphenyl ethan-1-one,ethanone, 1-dimethylphenyl,ethanone, 1-3,5-dimethylphenyl,1-dimethylphenyl ethan-1-one,pubchem24402,3', 5'-dimethylacetophenone,3',5'-dimethyl acetophenone PubChem CID: 14921 IUPAC Name: 1-(3,5-dimethylphenyl)ethanone SMILES: CC1=CC(=CC(=C1)C(=O)C)C
| PubChem CID | 14921 |
|---|---|
| CAS | 5379-16-8 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD01075693 |
| SMILES | CC1=CC(=CC(=C1)C(=O)C)C |
| Synonym | 1-3,5-dimethylphenyl ethanone,3,5-dimethylacetophenone,3',5'-dimethylacetophenone,1-3,5-dimethylphenyl ethan-1-one,ethanone, 1-dimethylphenyl,ethanone, 1-3,5-dimethylphenyl,1-dimethylphenyl ethan-1-one,pubchem24402,3', 5'-dimethylacetophenone,3',5'-dimethyl acetophenone |
| IUPAC Name | 1-(3,5-dimethylphenyl)ethanone |
| InChI Key | BKIHFZLJJUNKMZ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
6-piperidin-1-ylnicotinaldehyde, Thermo Scientific™
CAS: 241816-11-5 Molecular Formula: C11H14N2O Molecular Weight (g/mol): 190.246 InChI Key: RKIMIISNVCLRLA-UHFFFAOYSA-N Synonym: 6-piperidin-1-ylnicotinaldehyde,6-piperidin-1-yl nicotinaldehyde,6-piperidin-1-yl pyridine-3-carbaldehyde,6-piperidinonicotinaldehyde,6-1-piperidinyl nicotinaldehyde,6-1-piperidinyl pyridine-3-carboxaldehyde,6-piperidylpyridine-3-carbaldehyde,acmc-20alxp,3-pyridinecarboxaldehyde,6-1-piperidinyl,3,4,5,6-tetrahydro-2h-1,2' bipyridinyl-5'-carbaldehyde PubChem CID: 2763980 IUPAC Name: 6-piperidin-1-ylpyridine-3-carbaldehyde SMILES: C1CCN(CC1)C2=NC=C(C=C2)C=O
| PubChem CID | 2763980 |
|---|---|
| CAS | 241816-11-5 |
| Molecular Weight (g/mol) | 190.246 |
| SMILES | C1CCN(CC1)C2=NC=C(C=C2)C=O |
| Synonym | 6-piperidin-1-ylnicotinaldehyde,6-piperidin-1-yl nicotinaldehyde,6-piperidin-1-yl pyridine-3-carbaldehyde,6-piperidinonicotinaldehyde,6-1-piperidinyl nicotinaldehyde,6-1-piperidinyl pyridine-3-carboxaldehyde,6-piperidylpyridine-3-carbaldehyde,acmc-20alxp,3-pyridinecarboxaldehyde,6-1-piperidinyl,3,4,5,6-tetrahydro-2h-1,2' bipyridinyl-5'-carbaldehyde |
| IUPAC Name | 6-piperidin-1-ylpyridine-3-carbaldehyde |
| InChI Key | RKIMIISNVCLRLA-UHFFFAOYSA-N |
| Molecular Formula | C11H14N2O |
Thiazole-2-carboxaldehyde, 95%
CAS: 10200-59-6 Molecular Formula: C4H3NOS Molecular Weight (g/mol): 113.134 MDL Number: MFCD00142924 InChI Key: ZGTFNNUASMWGTM-UHFFFAOYSA-N Synonym: 2-thiazolecarboxaldehyde,thiazole-2-carbaldehyde,2-formylthiazole,thiazole-2-carboxaldehyde,2-formyl thiazole,thiazolecarboxaldehyde,2-formyl-1,3-thiazole,1,3-thiazole-2-carboxaldehyde,2-thiazolecarbaldehyde,pubchem9929 PubChem CID: 2734903 ChEBI: CHEBI:43623 IUPAC Name: 1,3-thiazole-2-carbaldehyde SMILES: C1=CSC(=N1)C=O
| PubChem CID | 2734903 |
|---|---|
| CAS | 10200-59-6 |
| Molecular Weight (g/mol) | 113.134 |
| ChEBI | CHEBI:43623 |
| MDL Number | MFCD00142924 |
| SMILES | C1=CSC(=N1)C=O |
| Synonym | 2-thiazolecarboxaldehyde,thiazole-2-carbaldehyde,2-formylthiazole,thiazole-2-carboxaldehyde,2-formyl thiazole,thiazolecarboxaldehyde,2-formyl-1,3-thiazole,1,3-thiazole-2-carboxaldehyde,2-thiazolecarbaldehyde,pubchem9929 |
| IUPAC Name | 1,3-thiazole-2-carbaldehyde |
| InChI Key | ZGTFNNUASMWGTM-UHFFFAOYSA-N |
| Molecular Formula | C4H3NOS |
2'-Chloro-6'-fluoroacetophenone, 97%, Thermo Scientific™
CAS: 87327-69-3 Molecular Formula: C8H6ClFO Molecular Weight (g/mol): 172.58 MDL Number: MFCD01631390 InChI Key: DNVGZKIRMBCQEQ-UHFFFAOYSA-N PubChem CID: 2773578 SMILES: CC(=O)C1=C(F)C=CC=C1Cl
| PubChem CID | 2773578 |
|---|---|
| CAS | 87327-69-3 |
| Molecular Weight (g/mol) | 172.58 |
| MDL Number | MFCD01631390 |
| SMILES | CC(=O)C1=C(F)C=CC=C1Cl |
| InChI Key | DNVGZKIRMBCQEQ-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClFO |
3-Fluoropyridine-2-carboxaldehyde, 97%, Thermo Scientific™
CAS: 31224-43-8 Molecular Formula: C6H4FNO Molecular Weight (g/mol): 125.102 MDL Number: MFCD07781234 InChI Key: OZIMPUNGBUYCSP-UHFFFAOYSA-N Synonym: 3-fluoro-2-formylpyridine,3-fluoropicolinaldehyde,3-fluoro-2-pyridinecarboxaldehyde,3-fluoropyridine-2-carboxaldehyde,3-fluoro-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 3-fluoro,2-formyl-3-fluoropyridine,pubchem5142,acmc-209hkw,3-fluoro-2-formyl-pyridine PubChem CID: 11344017 IUPAC Name: 3-fluoropyridine-2-carbaldehyde SMILES: C1=CC(=C(N=C1)C=O)F
| PubChem CID | 11344017 |
|---|---|
| CAS | 31224-43-8 |
| Molecular Weight (g/mol) | 125.102 |
| MDL Number | MFCD07781234 |
| SMILES | C1=CC(=C(N=C1)C=O)F |
| Synonym | 3-fluoro-2-formylpyridine,3-fluoropicolinaldehyde,3-fluoro-2-pyridinecarboxaldehyde,3-fluoropyridine-2-carboxaldehyde,3-fluoro-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 3-fluoro,2-formyl-3-fluoropyridine,pubchem5142,acmc-209hkw,3-fluoro-2-formyl-pyridine |
| IUPAC Name | 3-fluoropyridine-2-carbaldehyde |
| InChI Key | OZIMPUNGBUYCSP-UHFFFAOYSA-N |
| Molecular Formula | C6H4FNO |
3,3-Dimethylbutyraldehyde
CAS: 2987-16-8 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.16 MDL Number: MFCD00042807 InChI Key: LTNUSYNQZJZUSY-UHFFFAOYSA-N Synonym: 3,3-dimethylbutyraldehyde,3,3-dimethyl-butyraldehyde,butanal, 3,3-dimethyl,unii-cam6hd7jki,tert-butylacetaldehyde,3,3-dimethyl-butanal,cam6hd7jki,neohexal,pubchem3076,3,3-dimethylbutyraldehyd PubChem CID: 76335 IUPAC Name: 3,3-dimethylbutanal SMILES: CC(C)(C)CC=O
| PubChem CID | 76335 |
|---|---|
| CAS | 2987-16-8 |
| Molecular Weight (g/mol) | 100.16 |
| MDL Number | MFCD00042807 |
| SMILES | CC(C)(C)CC=O |
| Synonym | 3,3-dimethylbutyraldehyde,3,3-dimethyl-butyraldehyde,butanal, 3,3-dimethyl,unii-cam6hd7jki,tert-butylacetaldehyde,3,3-dimethyl-butanal,cam6hd7jki,neohexal,pubchem3076,3,3-dimethylbutyraldehyd |
| IUPAC Name | 3,3-dimethylbutanal |
| InChI Key | LTNUSYNQZJZUSY-UHFFFAOYSA-N |
| Molecular Formula | C6H12O |
2-Bromo-1-(4-morpholinophenyl)-1-ethanone, 97%, Thermo Scientific™
CAS: 210832-85-2 Molecular Formula: C12H14BrNO2 Molecular Weight (g/mol): 284.15 MDL Number: MFCD03783555 InChI Key: OUGMZFJPRSTGMJ-UHFFFAOYSA-N Synonym: 2-bromo-1-4-morpholinophenyl-1-ethanone,2-bromo-1-4-morpholinophenyl ethanone,2-bromo-1-4-morpholin-4-ylphenyl ethanone,2-bromo-1-4-4-morpholinyl phenyl ethanone,2-bromo-1-4-morpholin-4-yl-phenyl ethanone,2-bromo-1-4-morpholin-4-yl phenyl ethanone,2-bromo-1-4-morpholin-4-ylphenyl ethan-1-one,pubchem23338,acmc-1cqxm,alpha-bromo-4'-morpholinoacetophenone PubChem CID: 2795357 SMILES: BrCC(=O)C1=CC=C(C=C1)N1CCOCC1
| PubChem CID | 2795357 |
|---|---|
| CAS | 210832-85-2 |
| Molecular Weight (g/mol) | 284.15 |
| MDL Number | MFCD03783555 |
| SMILES | BrCC(=O)C1=CC=C(C=C1)N1CCOCC1 |
| Synonym | 2-bromo-1-4-morpholinophenyl-1-ethanone,2-bromo-1-4-morpholinophenyl ethanone,2-bromo-1-4-morpholin-4-ylphenyl ethanone,2-bromo-1-4-4-morpholinyl phenyl ethanone,2-bromo-1-4-morpholin-4-yl-phenyl ethanone,2-bromo-1-4-morpholin-4-yl phenyl ethanone,2-bromo-1-4-morpholin-4-ylphenyl ethan-1-one,pubchem23338,acmc-1cqxm,alpha-bromo-4'-morpholinoacetophenone |
| InChI Key | OUGMZFJPRSTGMJ-UHFFFAOYSA-N |
| Molecular Formula | C12H14BrNO2 |
Ethyl propionylacetate, 95%
CAS: 4949-44-4 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009317 InChI Key: UDRCONFHWYGWFI-UHFFFAOYSA-N Synonym: ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate PubChem CID: 78656 IUPAC Name: ethyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OCC
| PubChem CID | 78656 |
|---|---|
| CAS | 4949-44-4 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00009317 |
| SMILES | CCC(=O)CC(=O)OCC |
| Synonym | ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate |
| IUPAC Name | ethyl 3-oxopentanoate |
| InChI Key | UDRCONFHWYGWFI-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
Diethyl (3-chloropropyl)malonate, 98%
CAS: 18719-43-2 Molecular Formula: C10H17ClO4 Molecular Weight (g/mol): 236.692 MDL Number: MFCD00009169 InChI Key: WUOPYKKJFZHTRA-UHFFFAOYSA-N Synonym: diethyl 3-chloropropyl malonate,diethyl 2-3-chloropropyl malonate,malonic acid, 3-chloropropyl-, diethyl ester,2-3-chloropropyl malonic acid diethyl ester,acmc-20al9u,diethyl ?-chloropropyl malonate,chloropropylmalonic acid diethyl ester,diethyl 2-3-chloropropyl propanedioate PubChem CID: 140413 IUPAC Name: diethyl 2-(3-chloropropyl)propanedioate SMILES: CCOC(=O)C(CCCCl)C(=O)OCC
| PubChem CID | 140413 |
|---|---|
| CAS | 18719-43-2 |
| Molecular Weight (g/mol) | 236.692 |
| MDL Number | MFCD00009169 |
| SMILES | CCOC(=O)C(CCCCl)C(=O)OCC |
| Synonym | diethyl 3-chloropropyl malonate,diethyl 2-3-chloropropyl malonate,malonic acid, 3-chloropropyl-, diethyl ester,2-3-chloropropyl malonic acid diethyl ester,acmc-20al9u,diethyl ?-chloropropyl malonate,chloropropylmalonic acid diethyl ester,diethyl 2-3-chloropropyl propanedioate |
| IUPAC Name | diethyl 2-(3-chloropropyl)propanedioate |
| InChI Key | WUOPYKKJFZHTRA-UHFFFAOYSA-N |
| Molecular Formula | C10H17ClO4 |
Ethyl hydrogen malonate, 90+%
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 |