Carbonyl compounds
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1-[4-(3-Bromothien-2-yl)phenyl]ethanone, 97%, Thermo Scientific™
CAS: 937796-01-5 Molecular Formula: C12H9BrOS Molecular Weight (g/mol): 281.167 MDL Number: MFCD09879973 InChI Key: AMADTVLVNSCDKW-UHFFFAOYSA-N Synonym: 1-4-3-bromothien-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethan-1-one,4'-3-bromothien-2-yl acetophenone PubChem CID: 24229756 IUPAC Name: 1-[4-(3-bromothiophen-2-yl)phenyl]ethanone SMILES: CC(=O)C1=CC=C(C=C1)C2=C(C=CS2)Br
| PubChem CID | 24229756 |
|---|---|
| CAS | 937796-01-5 |
| Molecular Weight (g/mol) | 281.167 |
| MDL Number | MFCD09879973 |
| SMILES | CC(=O)C1=CC=C(C=C1)C2=C(C=CS2)Br |
| Synonym | 1-4-3-bromothien-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethanone,1-4-3-bromothiophen-2-yl phenyl ethan-1-one,4'-3-bromothien-2-yl acetophenone |
| IUPAC Name | 1-[4-(3-bromothiophen-2-yl)phenyl]ethanone |
| InChI Key | AMADTVLVNSCDKW-UHFFFAOYSA-N |
| Molecular Formula | C12H9BrOS |
5-(Trifluoromethyl)pyridine-2-carboxaldehyde, 95%
CAS: 31224-82-5 Molecular Formula: C7H4F3NO Molecular Weight (g/mol): 175.11 MDL Number: MFCD07375388 InChI Key: JJDDVGAESNBKMY-UHFFFAOYSA-N Synonym: 5-trifluoromethyl picolinaldehyde,5-trifluoromethyl-2-pyridinecarboxyaldehyde,5-trifluoromethyl-pyridine-2-carbaldehyde,5-trifluoromethyl pyridine-2-carboxaldehyde,5-trifluoromethyl pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde,5-trifluoromethyl,5-trifluoromethylpicolinealdehyde,5-trifluoromethylpicoline aldehyde,5-trifluoromethyl-pyridine-2-carboxaldehyde,2-pyridinecarboxaldehyde, 5-trifluoromethyl PubChem CID: 14422792 IUPAC Name: 5-(trifluoromethyl)pyridine-2-carbaldehyde SMILES: C1=CC(=NC=C1C(F)(F)F)C=O
| PubChem CID | 14422792 |
|---|---|
| CAS | 31224-82-5 |
| Molecular Weight (g/mol) | 175.11 |
| MDL Number | MFCD07375388 |
| SMILES | C1=CC(=NC=C1C(F)(F)F)C=O |
| Synonym | 5-trifluoromethyl picolinaldehyde,5-trifluoromethyl-2-pyridinecarboxyaldehyde,5-trifluoromethyl-pyridine-2-carbaldehyde,5-trifluoromethyl pyridine-2-carboxaldehyde,5-trifluoromethyl pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde,5-trifluoromethyl,5-trifluoromethylpicolinealdehyde,5-trifluoromethylpicoline aldehyde,5-trifluoromethyl-pyridine-2-carboxaldehyde,2-pyridinecarboxaldehyde, 5-trifluoromethyl |
| IUPAC Name | 5-(trifluoromethyl)pyridine-2-carbaldehyde |
| InChI Key | JJDDVGAESNBKMY-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3NO |
1-(1-Benzothiophen-5-yl)-2-bromo-1-ethanone, 97%, Thermo Scientific™
CAS: 1131-87-9 Molecular Formula: C10H7BrOS Molecular Weight (g/mol): 255.13 MDL Number: MFCD07368508 InChI Key: NTQPGUCRHJHYIA-UHFFFAOYSA-N Synonym: 1-1-benzothiophen-5-yl-2-bromo-1-ethanone,1-1-benzothiophen-5-yl-2-bromoethanone,1-benzo b thiophen-5-yl-2-bromoethan-1-one,5-bromoacetylbenzo b thiophene,5-bromoacetyl-benzo b thiophene,5-bromoacetyl benzo b thiophene,ethanone,1-benzo b thien-5-yl-2-bromo,1-benzo b thiophen-5-yl-2-bromoethanone,1-1-benzothiophen-5-yl-2-bromoethan-1-one PubChem CID: 7060546 IUPAC Name: 1-(1-benzothiophen-5-yl)-2-bromoethanone SMILES: BrCC(=O)C1=CC=C2SC=CC2=C1
| PubChem CID | 7060546 |
|---|---|
| CAS | 1131-87-9 |
| Molecular Weight (g/mol) | 255.13 |
| MDL Number | MFCD07368508 |
| SMILES | BrCC(=O)C1=CC=C2SC=CC2=C1 |
| Synonym | 1-1-benzothiophen-5-yl-2-bromo-1-ethanone,1-1-benzothiophen-5-yl-2-bromoethanone,1-benzo b thiophen-5-yl-2-bromoethan-1-one,5-bromoacetylbenzo b thiophene,5-bromoacetyl-benzo b thiophene,5-bromoacetyl benzo b thiophene,ethanone,1-benzo b thien-5-yl-2-bromo,1-benzo b thiophen-5-yl-2-bromoethanone,1-1-benzothiophen-5-yl-2-bromoethan-1-one |
| IUPAC Name | 1-(1-benzothiophen-5-yl)-2-bromoethanone |
| InChI Key | NTQPGUCRHJHYIA-UHFFFAOYSA-N |
| Molecular Formula | C10H7BrOS |
3,4-Hexanedione, 96%
CAS: 4437-51-8 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00010237 InChI Key: KVFQMAZOBTXCAZ-UHFFFAOYSA-N Synonym: 3,4-hexanedione,bipropionyl,dipropionyl,diethyl diketone,3,4-hexane dione,unii-4m4npr5vgd,3,4-hexandione,fema no. 3168,ccris 6295,4m4npr5vgd PubChem CID: 62539 IUPAC Name: hexane-3,4-dione SMILES: CCC(=O)C(=O)CC
| PubChem CID | 62539 |
|---|---|
| CAS | 4437-51-8 |
| Molecular Weight (g/mol) | 114.14 |
| MDL Number | MFCD00010237 |
| SMILES | CCC(=O)C(=O)CC |
| Synonym | 3,4-hexanedione,bipropionyl,dipropionyl,diethyl diketone,3,4-hexane dione,unii-4m4npr5vgd,3,4-hexandione,fema no. 3168,ccris 6295,4m4npr5vgd |
| IUPAC Name | hexane-3,4-dione |
| InChI Key | KVFQMAZOBTXCAZ-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
3-Acetylindole, 98%
CAS: 703-80-0 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD00005626 InChI Key: VUIMBZIZZFSQEE-UHFFFAOYSA-N Synonym: 3-acetylindole,1-1h-indol-3-yl ethanone,3-acetyl-1h-indole,ethanone, 1-1h-indol-3-yl,acetyl-3-indole,1-1h-indol-3-yl-ethanone,ketone, indol-3-yl methyl,3-acetyl indole,indol-3-yl methyl ketone,1-1h-indol-3-yl ethan-1-one PubChem CID: 12802 IUPAC Name: 1-(1H-indol-3-yl)ethanone SMILES: CC(=O)C1=CNC2=CC=CC=C21
| PubChem CID | 12802 |
|---|---|
| CAS | 703-80-0 |
| Molecular Weight (g/mol) | 159.188 |
| MDL Number | MFCD00005626 |
| SMILES | CC(=O)C1=CNC2=CC=CC=C21 |
| Synonym | 3-acetylindole,1-1h-indol-3-yl ethanone,3-acetyl-1h-indole,ethanone, 1-1h-indol-3-yl,acetyl-3-indole,1-1h-indol-3-yl-ethanone,ketone, indol-3-yl methyl,3-acetyl indole,indol-3-yl methyl ketone,1-1h-indol-3-yl ethan-1-one |
| IUPAC Name | 1-(1H-indol-3-yl)ethanone |
| InChI Key | VUIMBZIZZFSQEE-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |
tert.-Butyl methyl malonate, 95%
CAS: 42726-73-8 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.2 MDL Number: MFCD00042856 InChI Key: XPSYZCWYRWHVCC-UHFFFAOYSA-N Synonym: tert-butyl methyl malonate,t-butyl methyl malonate,1-tert-butyl 3-methyl propanedioate,acmc-20ajkv,tert-butyl methylmalote,pubchem20476,methyl tert-butyl malonate,ksc493c8h,tert-butyl methyl malonaoate PubChem CID: 2733872 IUPAC Name: 3-O-tert-butyl 1-O-methyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OC
| PubChem CID | 2733872 |
|---|---|
| CAS | 42726-73-8 |
| Molecular Weight (g/mol) | 174.2 |
| MDL Number | MFCD00042856 |
| SMILES | CC(C)(C)OC(=O)CC(=O)OC |
| Synonym | tert-butyl methyl malonate,t-butyl methyl malonate,1-tert-butyl 3-methyl propanedioate,acmc-20ajkv,tert-butyl methylmalote,pubchem20476,methyl tert-butyl malonate,ksc493c8h,tert-butyl methyl malonaoate |
| IUPAC Name | 3-O-tert-butyl 1-O-methyl propanedioate |
| InChI Key | XPSYZCWYRWHVCC-UHFFFAOYSA-N |
| Molecular Formula | C8H14O4 |
6-(tetrahydropyran-4-yloxy)pyridine-2-carbaldehyde, Thermo Scientific™
CAS: 898289-54-8 Molecular Formula: C11H13NO3 Molecular Weight (g/mol): 207.229 InChI Key: SBTGZJPHUYLRRU-UHFFFAOYSA-N Synonym: 6-tetrahydropyran-4-yloxy pyridine-2-carbaldehyde,6-oxan-4-yloxy pyridine-2-carbaldehyde,6-oxan-4-yl oxy pyridine-2-carbaldehyde,6-tetrahydro-2h-pyran-4-yl oxy picolinaldehyde,6-2h-3,4,5,6-tetrahydropyran-4-yloxy pyridine-2-carbaldehyde PubChem CID: 45594294 IUPAC Name: 6-(oxan-4-yloxy)pyridine-2-carbaldehyde SMILES: C1COCCC1OC2=CC=CC(=N2)C=O
| PubChem CID | 45594294 |
|---|---|
| CAS | 898289-54-8 |
| Molecular Weight (g/mol) | 207.229 |
| SMILES | C1COCCC1OC2=CC=CC(=N2)C=O |
| Synonym | 6-tetrahydropyran-4-yloxy pyridine-2-carbaldehyde,6-oxan-4-yloxy pyridine-2-carbaldehyde,6-oxan-4-yl oxy pyridine-2-carbaldehyde,6-tetrahydro-2h-pyran-4-yl oxy picolinaldehyde,6-2h-3,4,5,6-tetrahydropyran-4-yloxy pyridine-2-carbaldehyde |
| IUPAC Name | 6-(oxan-4-yloxy)pyridine-2-carbaldehyde |
| InChI Key | SBTGZJPHUYLRRU-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO3 |
4-Methyl-2-oxovaleric acid, 94%
CAS: 816-66-0 Molecular Formula: C6H9NaO3 Molecular Weight (g/mol): 152.13 MDL Number: MFCD00066204 InChI Key: IXFAZKRLPPMQEO-UHFFFAOYSA-M Synonym: 4-methyl-2-oxovaleric acid,alpha-ketoisocaproic acid,ketoleucine,alpha-ketoisocaproate,pentanoic acid, 4-methyl-2-oxo,2-oxoisocaproate,2-oxo-4-methylpentanoic acid,ketoisocaproate,2-oxoisohexanoate,4-methyl-2-oxopentanoate PubChem CID: 70 ChEBI: CHEBI:48430 SMILES: [Na+].CC(C)CC(=O)C([O-])=O
| PubChem CID | 70 |
|---|---|
| CAS | 816-66-0 |
| Molecular Weight (g/mol) | 152.13 |
| ChEBI | CHEBI:48430 |
| MDL Number | MFCD00066204 |
| SMILES | [Na+].CC(C)CC(=O)C([O-])=O |
| Synonym | 4-methyl-2-oxovaleric acid,alpha-ketoisocaproic acid,ketoleucine,alpha-ketoisocaproate,pentanoic acid, 4-methyl-2-oxo,2-oxoisocaproate,2-oxo-4-methylpentanoic acid,ketoisocaproate,2-oxoisohexanoate,4-methyl-2-oxopentanoate |
| InChI Key | IXFAZKRLPPMQEO-UHFFFAOYSA-M |
| Molecular Formula | C6H9NaO3 |
2-Bromo-4'-methoxyacetophenone, 98%
CAS: 2632-13-5 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00000201 InChI Key: XQJAHBHCLXUGEP-UHFFFAOYSA-N Synonym: 2-bromo-4'-methoxyacetophenone,2-bromo-1-4-methoxyphenyl ethanone,ethanone, 2-bromo-1-4-methoxyphenyl,p-methoxyphenacyl bromide,4'-methoxyphenacyl bromide,2-bromo-1-4-methoxyphenyl ethan-1-one,4-methoxyphenacyl bromide,bromomethyl 4-methoxyphenyl ketone,alpha-bromo-4-methoxyacetophenone,2-bromo-4-methoxyacetophenone PubChem CID: 4965 IUPAC Name: 2-bromo-1-(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(=O)CBr
| PubChem CID | 4965 |
|---|---|
| CAS | 2632-13-5 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00000201 |
| SMILES | COC1=CC=C(C=C1)C(=O)CBr |
| Synonym | 2-bromo-4'-methoxyacetophenone,2-bromo-1-4-methoxyphenyl ethanone,ethanone, 2-bromo-1-4-methoxyphenyl,p-methoxyphenacyl bromide,4'-methoxyphenacyl bromide,2-bromo-1-4-methoxyphenyl ethan-1-one,4-methoxyphenacyl bromide,bromomethyl 4-methoxyphenyl ketone,alpha-bromo-4-methoxyacetophenone,2-bromo-4-methoxyacetophenone |
| IUPAC Name | 2-bromo-1-(4-methoxyphenyl)ethanone |
| InChI Key | XQJAHBHCLXUGEP-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
4'-(Methylthio)acetophenone, 99%
CAS: 1778-09-2 Molecular Formula: C9H10OS Molecular Weight (g/mol): 166.24 MDL Number: MFCD00039835 InChI Key: JECUZQLBQKNEMW-UHFFFAOYSA-N Synonym: 4'-methylthio acetophenone,4-methylthio acetophenone,4'-methylthioacetophenone,1-4-methylsulfanyl phenyl ethanone,4-acetyl thioanisole,4'-methylmercapto acetophenone,1-4-methylthio phenyl ethanone,1-4-methylthio phenyl ethan-1-one,1-4-methylsulfanylphenyl ethanone PubChem CID: 74501 IUPAC Name: 1-(4-methylsulfanylphenyl)ethanone SMILES: CSC1=CC=C(C=C1)C(C)=O
| PubChem CID | 74501 |
|---|---|
| CAS | 1778-09-2 |
| Molecular Weight (g/mol) | 166.24 |
| MDL Number | MFCD00039835 |
| SMILES | CSC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-methylthio acetophenone,4-methylthio acetophenone,4'-methylthioacetophenone,1-4-methylsulfanyl phenyl ethanone,4-acetyl thioanisole,4'-methylmercapto acetophenone,1-4-methylthio phenyl ethanone,1-4-methylthio phenyl ethan-1-one,1-4-methylsulfanylphenyl ethanone |
| IUPAC Name | 1-(4-methylsulfanylphenyl)ethanone |
| InChI Key | JECUZQLBQKNEMW-UHFFFAOYSA-N |
| Molecular Formula | C9H10OS |
Methyl potassium malonate, 98%
CAS: 38330-80-2 Molecular Formula: C4H5KO4 Molecular Weight (g/mol): 156.178 MDL Number: MFCD00014021 InChI Key: WWTULTKUWBKVGV-UHFFFAOYSA-M Synonym: potassium 3-methoxy-3-oxopropanoate,methyl potassium malonate,potassium methyl malonate,propanedioic acid, monomethyl ester, potassium salt,potassium monomethyl malonate,monomethyl malonate potassium salt,hydrogen methyl malonate potassium salt,monomethylpotassiummalonate,acmc-209vp4,ksc226a9d PubChem CID: 2724687 IUPAC Name: potassium;3-methoxy-3-oxopropanoate SMILES: COC(=O)CC(=O)[O-].[K+]
| PubChem CID | 2724687 |
|---|---|
| CAS | 38330-80-2 |
| Molecular Weight (g/mol) | 156.178 |
| MDL Number | MFCD00014021 |
| SMILES | COC(=O)CC(=O)[O-].[K+] |
| Synonym | potassium 3-methoxy-3-oxopropanoate,methyl potassium malonate,potassium methyl malonate,propanedioic acid, monomethyl ester, potassium salt,potassium monomethyl malonate,monomethyl malonate potassium salt,hydrogen methyl malonate potassium salt,monomethylpotassiummalonate,acmc-209vp4,ksc226a9d |
| IUPAC Name | potassium;3-methoxy-3-oxopropanoate |
| InChI Key | WWTULTKUWBKVGV-UHFFFAOYSA-M |
| Molecular Formula | C4H5KO4 |
1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone, 90+%, Thermo Scientific™
CAS: 54223-20-0 Molecular Formula: C9H6BrNOS Molecular Weight (g/mol): 256.12 MDL Number: MFCD03659698 InChI Key: AYWGYNKWZWBMSV-UHFFFAOYSA-N Synonym: 1-1,3-benzothiazol-2-yl-2-bromo-1-ethanone,1-benzo d thiazol-2-yl-2-bromoethanone,1-1,3-benzothiazol-2-yl-2-bromoethanone,2-bromoacetyl benzothiazole,1-benzothiazol-2-yl-2-bromoethanone,1-benzothiazol-2-yl-2-bromo-ethanone,1-1,3-benzothiazol-2-yl-2-bromoethan-1-one,pubchem23327,2-bromoacetyl-1,3-benzothiazole PubChem CID: 2776256 SMILES: BrCC(=O)C1=NC2=CC=CC=C2S1
| PubChem CID | 2776256 |
|---|---|
| CAS | 54223-20-0 |
| Molecular Weight (g/mol) | 256.12 |
| MDL Number | MFCD03659698 |
| SMILES | BrCC(=O)C1=NC2=CC=CC=C2S1 |
| Synonym | 1-1,3-benzothiazol-2-yl-2-bromo-1-ethanone,1-benzo d thiazol-2-yl-2-bromoethanone,1-1,3-benzothiazol-2-yl-2-bromoethanone,2-bromoacetyl benzothiazole,1-benzothiazol-2-yl-2-bromoethanone,1-benzothiazol-2-yl-2-bromo-ethanone,1-1,3-benzothiazol-2-yl-2-bromoethan-1-one,pubchem23327,2-bromoacetyl-1,3-benzothiazole |
| InChI Key | AYWGYNKWZWBMSV-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNOS |
4-Methyl-2-pentenal, 95%
CAS: 5362-56-1 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.14 MDL Number: MFCD00800501 InChI Key: RIWPMNBTULNXOH-ONEGZZNKSA-N Synonym: 4-methyl-2-pentenal,unii-sxg1guk91a,e-4-methyl-2-pentenal,sxg1guk91a,fema no. 3510,2-pentenal, 4-methyl,4-methylpent-2-enal,4-methyl-2-penten-1-al,2-pentenal, 4-methyl-, 2e,2e-4-methylpent-2-enal PubChem CID: 5916154 IUPAC Name: (E)-4-methylpent-2-enal SMILES: CC(C)C=CC=O
| PubChem CID | 5916154 |
|---|---|
| CAS | 5362-56-1 |
| Molecular Weight (g/mol) | 98.14 |
| MDL Number | MFCD00800501 |
| SMILES | CC(C)C=CC=O |
| Synonym | 4-methyl-2-pentenal,unii-sxg1guk91a,e-4-methyl-2-pentenal,sxg1guk91a,fema no. 3510,2-pentenal, 4-methyl,4-methylpent-2-enal,4-methyl-2-penten-1-al,2-pentenal, 4-methyl-, 2e,2e-4-methylpent-2-enal |
| IUPAC Name | (E)-4-methylpent-2-enal |
| InChI Key | RIWPMNBTULNXOH-ONEGZZNKSA-N |
| Molecular Formula | C6H10O |
2-n-Propoxypyridine-3-carboxaldehyde, 98%, Thermo Scientific Chemicals
CAS: 885278-12-6 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD06804561 InChI Key: CBTKKULPWZVYOL-UHFFFAOYSA-N Synonym: 2-propoxy-pyridine-3-carbaldehyde,2-propoxynicotinaldehyde,2-n-propoxypyridine-3-carboxaldehyde,2-n-propoxynicotinaldehyde,acmc-20anoj,3-pyridinecarboxaldehyde,2-propoxy,2-propoxy-3-pyridinecarboxaldehyde PubChem CID: 42553137 IUPAC Name: 2-propoxypyridine-3-carbaldehyde SMILES: CCCOC1=C(C=O)C=CC=N1
| PubChem CID | 42553137 |
|---|---|
| CAS | 885278-12-6 |
| Molecular Weight (g/mol) | 165.19 |
| MDL Number | MFCD06804561 |
| SMILES | CCCOC1=C(C=O)C=CC=N1 |
| Synonym | 2-propoxy-pyridine-3-carbaldehyde,2-propoxynicotinaldehyde,2-n-propoxypyridine-3-carboxaldehyde,2-n-propoxynicotinaldehyde,acmc-20anoj,3-pyridinecarboxaldehyde,2-propoxy,2-propoxy-3-pyridinecarboxaldehyde |
| IUPAC Name | 2-propoxypyridine-3-carbaldehyde |
| InChI Key | CBTKKULPWZVYOL-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
4'-Chloro-2'-hydroxyacetophenone, 97%
CAS: 6921-66-0 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.592 MDL Number: MFCD00238557 InChI Key: QCVSDCHNBNFJDQ-UHFFFAOYSA-N PubChem CID: 1051513 IUPAC Name: 1-(4-chloro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)Cl)O
| PubChem CID | 1051513 |
|---|---|
| CAS | 6921-66-0 |
| Molecular Weight (g/mol) | 170.592 |
| MDL Number | MFCD00238557 |
| SMILES | CC(=O)C1=C(C=C(C=C1)Cl)O |
| IUPAC Name | 1-(4-chloro-2-hydroxyphenyl)ethanone |
| InChI Key | QCVSDCHNBNFJDQ-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO2 |