Carbonyl compounds
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1-Phenyl-1H-pyrazole-5-carbaldehyde, 95+%, Thermo Scientific™
CAS: 132274-70-5 Molecular Formula: C10H8N2O Molecular Weight (g/mol): 172.187 InChI Key: OQORFMABOZEDBL-UHFFFAOYSA-N Synonym: 1-phenyl-1h-pyrazole-5-carbaldehyde,1h-pyrazole-5-carboxaldehyde, 1-phenyl,1-phenylpyrazole-5-carbaldehyde,1-phenyl-1h-pyrazole-5-carboxaldehyde PubChem CID: 2776567 IUPAC Name: 2-phenylpyrazole-3-carbaldehyde SMILES: C1=CC=C(C=C1)N2C(=CC=N2)C=O
| PubChem CID | 2776567 |
|---|---|
| CAS | 132274-70-5 |
| Molecular Weight (g/mol) | 172.187 |
| SMILES | C1=CC=C(C=C1)N2C(=CC=N2)C=O |
| Synonym | 1-phenyl-1h-pyrazole-5-carbaldehyde,1h-pyrazole-5-carboxaldehyde, 1-phenyl,1-phenylpyrazole-5-carbaldehyde,1-phenyl-1h-pyrazole-5-carboxaldehyde |
| IUPAC Name | 2-phenylpyrazole-3-carbaldehyde |
| InChI Key | OQORFMABOZEDBL-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O |
6-Fluoroquinoline-2-carboxaldehyde, 97%
CAS: 260430-93-1 Molecular Formula: C10H6FNO MDL Number: MFCD06751849 InChI Key: JDQMJKKGPXPPOJ-UHFFFAOYSA-N Synonym: 2-quinolinecarboxaldehyde, 6-fluoro,6-fluoro-2-quinolinecarbaldehyde,6-fluoro-quinoline-2-carbaldehyde,6-fluoroquinoline-2-carboxaldehyde,4-aminomethyl-1-isoindolinone PubChem CID: 3159605 IUPAC Name: 6-fluoroquinoline-2-carbaldehyde
| PubChem CID | 3159605 |
|---|---|
| CAS | 260430-93-1 |
| MDL Number | MFCD06751849 |
| Synonym | 2-quinolinecarboxaldehyde, 6-fluoro,6-fluoro-2-quinolinecarbaldehyde,6-fluoro-quinoline-2-carbaldehyde,6-fluoroquinoline-2-carboxaldehyde,4-aminomethyl-1-isoindolinone |
| IUPAC Name | 6-fluoroquinoline-2-carbaldehyde |
| InChI Key | JDQMJKKGPXPPOJ-UHFFFAOYSA-N |
| Molecular Formula | C10H6FNO |
7-Methylindole-3-carboxaldehyde, 98%
CAS: 4771-50-0 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.19 MDL Number: MFCD00047170 InChI Key: KTUFZHVVJBHGKZ-UHFFFAOYSA-N Synonym: 7-methylindole-3-carboxaldehyde,7-methylindole-3-carboxyaldehyde,3-formyl-7-methylindole,7-methylindole 3-carboxaldehyde,1h-indole-3-carboxaldehyde, 7-methyl,3-carboxaldehyde, 7-methylindole,7-methyl-1h-indole-3-carboxaldehyde,7-methylindole-3-carbaldehyde,pubchem8327,acmc-1ak55 PubChem CID: 260389 IUPAC Name: 7-methyl-1H-indole-3-carbaldehyde SMILES: CC1=C2NC=C(C=O)C2=CC=C1
| PubChem CID | 260389 |
|---|---|
| CAS | 4771-50-0 |
| Molecular Weight (g/mol) | 159.19 |
| MDL Number | MFCD00047170 |
| SMILES | CC1=C2NC=C(C=O)C2=CC=C1 |
| Synonym | 7-methylindole-3-carboxaldehyde,7-methylindole-3-carboxyaldehyde,3-formyl-7-methylindole,7-methylindole 3-carboxaldehyde,1h-indole-3-carboxaldehyde, 7-methyl,3-carboxaldehyde, 7-methylindole,7-methyl-1h-indole-3-carboxaldehyde,7-methylindole-3-carbaldehyde,pubchem8327,acmc-1ak55 |
| IUPAC Name | 7-methyl-1H-indole-3-carbaldehyde |
| InChI Key | KTUFZHVVJBHGKZ-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |
3-Penten-2-one, tech. 85%
CAS: 625-33-2 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00009290 InChI Key: LABTWGUMFABVFG-ONEGZZNKSA-N Synonym: z-pent-3-en-2-one,unii-w8xx21whyc,z-3-penten-2-one,w8xx21whyc,3-penten-2-one,3z-pent-3-en-2-one,3-penten-2-one, z,cis-3-penten-2-one,3-penten-2-one, cis PubChem CID: 637920 IUPAC Name: (E)-pent-3-en-2-one SMILES: CC=CC(=O)C
| PubChem CID | 637920 |
|---|---|
| CAS | 625-33-2 |
| Molecular Weight (g/mol) | 84.118 |
| MDL Number | MFCD00009290 |
| SMILES | CC=CC(=O)C |
| Synonym | z-pent-3-en-2-one,unii-w8xx21whyc,z-3-penten-2-one,w8xx21whyc,3-penten-2-one,3z-pent-3-en-2-one,3-penten-2-one, z,cis-3-penten-2-one,3-penten-2-one, cis |
| IUPAC Name | (E)-pent-3-en-2-one |
| InChI Key | LABTWGUMFABVFG-ONEGZZNKSA-N |
| Molecular Formula | C5H8O |
Tris(dibenzylideneacetone)dipalladium(0), Pd 21.5% min
CAS: 51364-51-3 Molecular Formula: C51H42O3Pd2 Molecular Weight (g/mol): 915.73 MDL Number: MFCD00013310 InChI Key: CYPYTURSJDMMMP-UHFFFAOYSA-N Synonym: tris dibenzylideneacetone dipalladium 0,tris dibenzylideneacetone dipalladium,pd2 dba 3,tris dibezylideneacetone dipalladium,tris dibenzylideneacetone dipalladium o,tris dibenzylideneacetonyl bis-palladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium PubChem CID: 9811564 IUPAC Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium SMILES: [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1
| PubChem CID | 9811564 |
|---|---|
| CAS | 51364-51-3 |
| Molecular Weight (g/mol) | 915.73 |
| MDL Number | MFCD00013310 |
| SMILES | [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1 |
| Synonym | tris dibenzylideneacetone dipalladium 0,tris dibenzylideneacetone dipalladium,pd2 dba 3,tris dibezylideneacetone dipalladium,tris dibenzylideneacetone dipalladium o,tris dibenzylideneacetonyl bis-palladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium |
| IUPAC Name | (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium |
| InChI Key | CYPYTURSJDMMMP-UHFFFAOYSA-N |
| Molecular Formula | C51H42O3Pd2 |
Vanadyl(IV) acetylacetonate, 99%
CAS: 3153-26-2 Molecular Formula: C10H14O5V Molecular Weight (g/mol): 265.16 MDL Number: MFCD00000032 InChI Key: JFHJZWAQYMGNBE-SUKNRPLKSA-L Synonym: vanadyl acetylacetonate,bis 2,4-pentanedionato vanadium iv oxide PubChem CID: 131674261 IUPAC Name: (Z)-4-oxopent-2-en-2-olate;vanadium(2+);hydrate SMILES: O=[V++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
| PubChem CID | 131674261 |
|---|---|
| CAS | 3153-26-2 |
| Molecular Weight (g/mol) | 265.16 |
| MDL Number | MFCD00000032 |
| SMILES | O=[V++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O |
| Synonym | vanadyl acetylacetonate,bis 2,4-pentanedionato vanadium iv oxide |
| IUPAC Name | (Z)-4-oxopent-2-en-2-olate;vanadium(2+);hydrate |
| InChI Key | JFHJZWAQYMGNBE-SUKNRPLKSA-L |
| Molecular Formula | C10H14O5V |
2,5-Dimethyl-3-hexyne-2,5-diol, (+/-) + meso, 98%
CAS: 142-30-3 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00004468 InChI Key: IHJUECRFYCQBMW-UHFFFAOYSA-N Synonym: 2,5-dimethyl-3-hexyne-2,5-diol,dimethylhexynediol,kemitracin-50,tetramethylbutynediol,acetylenepinacol,3-hexyne-2,5-diol, 2,5-dimethyl,olfine y,tetramethyl-2-butynediol,unii-22rr53u71w,2,5-dimethylhexyne-2,5-diol PubChem CID: 8883 IUPAC Name: 2,5-dimethylhex-3-yne-2,5-diol SMILES: CC(C)(C#CC(C)(C)O)O
| PubChem CID | 8883 |
|---|---|
| CAS | 142-30-3 |
| Molecular Weight (g/mol) | 142.198 |
| MDL Number | MFCD00004468 |
| SMILES | CC(C)(C#CC(C)(C)O)O |
| Synonym | 2,5-dimethyl-3-hexyne-2,5-diol,dimethylhexynediol,kemitracin-50,tetramethylbutynediol,acetylenepinacol,3-hexyne-2,5-diol, 2,5-dimethyl,olfine y,tetramethyl-2-butynediol,unii-22rr53u71w,2,5-dimethylhexyne-2,5-diol |
| IUPAC Name | 2,5-dimethylhex-3-yne-2,5-diol |
| InChI Key | IHJUECRFYCQBMW-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
Ethyl 2-acetyl-3-(dimethylamino)acrylate, 95%, Thermo Scientific Chemicals
CAS: 51145-57-4 Molecular Formula: C9H15NO3 Molecular Weight (g/mol): 185.223 MDL Number: MFCD00087563 InChI Key: LQSOVGAUOHMPLK-SOFGYWHQSA-N PubChem CID: 2763877 IUPAC Name: ethyl (2E)-2-(dimethylaminomethylidene)-3-oxobutanoate SMILES: CCOC(=O)C(=CN(C)C)C(=O)C
| PubChem CID | 2763877 |
|---|---|
| CAS | 51145-57-4 |
| Molecular Weight (g/mol) | 185.223 |
| MDL Number | MFCD00087563 |
| SMILES | CCOC(=O)C(=CN(C)C)C(=O)C |
| IUPAC Name | ethyl (2E)-2-(dimethylaminomethylidene)-3-oxobutanoate |
| InChI Key | LQSOVGAUOHMPLK-SOFGYWHQSA-N |
| Molecular Formula | C9H15NO3 |
3-Methyl-3-penten-2-one, 98%
CAS: 565-62-8 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.14 InChI Key: ZAMCMCQRTZKGDX-SNAWJCMRSA-N Synonym: 3-methyl-3-penten-2-one,e-3-methylpent-3-en-2-one,e-3-methyl-3-penten-2-one,unii-jbr4o01db2,jbr4o01db2,3-methyl-2-penten-4-one,3-penten-2-one, 3-methyl,3-methyl-3-pentene-2-one,2-acetyl-2-butene,3-methyl-4-oxopent-2-ene PubChem CID: 5364579 IUPAC Name: (E)-3-methylpent-3-en-2-one SMILES: CC=C(C)C(=O)C
| PubChem CID | 5364579 |
|---|---|
| CAS | 565-62-8 |
| Molecular Weight (g/mol) | 98.14 |
| SMILES | CC=C(C)C(=O)C |
| Synonym | 3-methyl-3-penten-2-one,e-3-methylpent-3-en-2-one,e-3-methyl-3-penten-2-one,unii-jbr4o01db2,jbr4o01db2,3-methyl-2-penten-4-one,3-penten-2-one, 3-methyl,3-methyl-3-pentene-2-one,2-acetyl-2-butene,3-methyl-4-oxopent-2-ene |
| IUPAC Name | (E)-3-methylpent-3-en-2-one |
| InChI Key | ZAMCMCQRTZKGDX-SNAWJCMRSA-N |
| Molecular Formula | C6H10O |
3-Benzoylpyridine, 98+%
CAS: 5424-19-1 Molecular Formula: C12H9NO Molecular Weight (g/mol): 183.21 MDL Number: MFCD00006394 InChI Key: RYMBAPVTUHZCNF-UHFFFAOYSA-N Synonym: 3-benzoylpyridine,phenyl pyridin-3-yl methanone,phenyl 3-pyridyl ketone,methanone, phenyl-3-pyridinyl,pyridine, 3-benzoyl,3-pyridyl phenyl ketone,ketone, phenyl 3-pyridyl,3-benzoyl pyridine,phenyl-b-pyridyl ketone,phenyl 3-pyridinyl methanone PubChem CID: 21540 IUPAC Name: phenyl(pyridin-3-yl)methanone SMILES: C1=CC=C(C=C1)C(=O)C2=CN=CC=C2
| PubChem CID | 21540 |
|---|---|
| CAS | 5424-19-1 |
| Molecular Weight (g/mol) | 183.21 |
| MDL Number | MFCD00006394 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CN=CC=C2 |
| Synonym | 3-benzoylpyridine,phenyl pyridin-3-yl methanone,phenyl 3-pyridyl ketone,methanone, phenyl-3-pyridinyl,pyridine, 3-benzoyl,3-pyridyl phenyl ketone,ketone, phenyl 3-pyridyl,3-benzoyl pyridine,phenyl-b-pyridyl ketone,phenyl 3-pyridinyl methanone |
| IUPAC Name | phenyl(pyridin-3-yl)methanone |
| InChI Key | RYMBAPVTUHZCNF-UHFFFAOYSA-N |
| Molecular Formula | C12H9NO |
1,3-acetonedicarboxylic acid, 96%
CAS: 542-05-2 Molecular Formula: C5H6O5 Molecular Weight (g/mol): 146.1 MDL Number: MFCD00002711 InChI Key: OXTNCQMOKLOUAM-UHFFFAOYSA-N Synonym: 1,3-acetonedicarboxylic acid,3-oxoglutaric acid,acetonedicarboxylic acid,pentanedioic acid, 3-oxo,acetone-1,3-dicarboxylic acid,3-ketoglutaric acid,unii-ih7p7wo21p,1,3-acetonedicarboxylic acid; 3-ketoglutaric acid,ih7p7wo21p,acetondicarbonsaure PubChem CID: 68328 IUPAC Name: 3-oxopentanedioic acid SMILES: C(C(=O)CC(=O)O)C(=O)O
| PubChem CID | 68328 |
|---|---|
| CAS | 542-05-2 |
| Molecular Weight (g/mol) | 146.1 |
| MDL Number | MFCD00002711 |
| SMILES | C(C(=O)CC(=O)O)C(=O)O |
| Synonym | 1,3-acetonedicarboxylic acid,3-oxoglutaric acid,acetonedicarboxylic acid,pentanedioic acid, 3-oxo,acetone-1,3-dicarboxylic acid,3-ketoglutaric acid,unii-ih7p7wo21p,1,3-acetonedicarboxylic acid; 3-ketoglutaric acid,ih7p7wo21p,acetondicarbonsaure |
| IUPAC Name | 3-oxopentanedioic acid |
| InChI Key | OXTNCQMOKLOUAM-UHFFFAOYSA-N |
| Molecular Formula | C5H6O5 |
3'-Methoxyacetophenone, 97%
CAS: 586-37-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008736 InChI Key: BAYUSCHCCGXLAY-UHFFFAOYSA-N Synonym: 3'-methoxyacetophenone,3-methoxyacetophenone,3-acetylanisole,m-methoxyacetophenone,1-3-methoxyphenyl ethanone,ethanone, 1-3-methoxyphenyl,m-acetanisole,acetophenone, m-methoxy,1-3-methoxyphenyl ethan-1-one,acetophenone, 3'-methoxy PubChem CID: 11460 IUPAC Name: 1-(3-methoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)OC
| PubChem CID | 11460 |
|---|---|
| CAS | 586-37-8 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00008736 |
| SMILES | CC(=O)C1=CC(=CC=C1)OC |
| Synonym | 3'-methoxyacetophenone,3-methoxyacetophenone,3-acetylanisole,m-methoxyacetophenone,1-3-methoxyphenyl ethanone,ethanone, 1-3-methoxyphenyl,m-acetanisole,acetophenone, m-methoxy,1-3-methoxyphenyl ethan-1-one,acetophenone, 3'-methoxy |
| IUPAC Name | 1-(3-methoxyphenyl)ethanone |
| InChI Key | BAYUSCHCCGXLAY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
2-Bromo-2',4'-dimethoxyacetophenone, 98%
CAS: 60965-26-6 Molecular Formula: C10H11BrO3 Molecular Weight (g/mol): 259.09 MDL Number: MFCD00000197 InChI Key: PKVBZABQCCQHLD-UHFFFAOYSA-N Synonym: 2-bromo-1-2,4-dimethoxyphenyl ethanone,2-bromo-2',4'-dimethoxyacetophenone,2,4-dimethoxyphenacyl bromide,2-bromo-1-2',4'-dimethoxyphenyl ethanone,2-bromo-1-2,4-dimethoxyphenyl ethan-1-one,ethanone, 2-bromo-1-2,4-dimethoxyphenyl,2-bromo-2',4'-dimethoxyacetopheneone,1-2,4-dimethoxyphenyl-2-bromoethan-1-one,pubchem13433,acmc-1ba4l PubChem CID: 98683 IUPAC Name: 2-bromo-1-(2,4-dimethoxyphenyl)ethanone SMILES: COC1=CC(=C(C=C1)C(=O)CBr)OC
| PubChem CID | 98683 |
|---|---|
| CAS | 60965-26-6 |
| Molecular Weight (g/mol) | 259.09 |
| MDL Number | MFCD00000197 |
| SMILES | COC1=CC(=C(C=C1)C(=O)CBr)OC |
| Synonym | 2-bromo-1-2,4-dimethoxyphenyl ethanone,2-bromo-2',4'-dimethoxyacetophenone,2,4-dimethoxyphenacyl bromide,2-bromo-1-2',4'-dimethoxyphenyl ethanone,2-bromo-1-2,4-dimethoxyphenyl ethan-1-one,ethanone, 2-bromo-1-2,4-dimethoxyphenyl,2-bromo-2',4'-dimethoxyacetopheneone,1-2,4-dimethoxyphenyl-2-bromoethan-1-one,pubchem13433,acmc-1ba4l |
| IUPAC Name | 2-bromo-1-(2,4-dimethoxyphenyl)ethanone |
| InChI Key | PKVBZABQCCQHLD-UHFFFAOYSA-N |
| Molecular Formula | C10H11BrO3 |
3-Methyl-2-butenal, 97%
CAS: 107-86-8 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.12 InChI Key: SEPQTYODOKLVSB-UHFFFAOYSA-N Synonym: 3-methyl-2-butenal,prenal,3-methylcrotonaldehyde,senecialdehyde,3,3-dimethylacrolein,senecioaldehyde,2-butenal, 3-methyl,beta,beta-dimethylacrolein,crotonaldehyde, 3-methyl,beta-methylcrotonaldehyde PubChem CID: 61020 ChEBI: CHEBI:15825 IUPAC Name: 3-methylbut-2-enal SMILES: CC(=CC=O)C
| PubChem CID | 61020 |
|---|---|
| CAS | 107-86-8 |
| Molecular Weight (g/mol) | 84.12 |
| ChEBI | CHEBI:15825 |
| SMILES | CC(=CC=O)C |
| Synonym | 3-methyl-2-butenal,prenal,3-methylcrotonaldehyde,senecialdehyde,3,3-dimethylacrolein,senecioaldehyde,2-butenal, 3-methyl,beta,beta-dimethylacrolein,crotonaldehyde, 3-methyl,beta-methylcrotonaldehyde |
| IUPAC Name | 3-methylbut-2-enal |
| InChI Key | SEPQTYODOKLVSB-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
2-Amino-4'-bromoacetophenone hydrochloride, 98%
CAS: 5467-72-1 Molecular Formula: C8H9BrClNO Molecular Weight (g/mol): 250.52 MDL Number: MFCD00051998 InChI Key: ROAVTVXTYFSQEA-UHFFFAOYSA-N Synonym: 4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl PubChem CID: 2798216 IUPAC Name: 2-amino-1-(4-bromophenyl)ethanone;hydrochloride SMILES: C1=CC(=CC=C1C(=O)CN)Br.Cl
| PubChem CID | 2798216 |
|---|---|
| CAS | 5467-72-1 |
| Molecular Weight (g/mol) | 250.52 |
| MDL Number | MFCD00051998 |
| SMILES | C1=CC(=CC=C1C(=O)CN)Br.Cl |
| Synonym | 4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl |
| IUPAC Name | 2-amino-1-(4-bromophenyl)ethanone;hydrochloride |
| InChI Key | ROAVTVXTYFSQEA-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrClNO |