Carbonyl compounds
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Malonamide 98.0+%, TCI America™
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CAS: 108-13-4 Molecular Formula: C3H6N2O2 Molecular Weight (g/mol): 102.093 MDL Number: MFCD00008034 InChI Key: WRIRWRKPLXCTFD-UHFFFAOYSA-N Synonym: malonamide,malonodiamide,malondiamide,malonyldiamide,carboxamidoacetamide,malonic acid diamide,malonic diamide,unii-qvq8cng255,qvq8cng255,methane-1,1-dicarboxamide PubChem CID: 7911 IUPAC Name: propanediamide SMILES: C(C(=O)N)C(=O)N
| PubChem CID | 7911 |
|---|---|
| CAS | 108-13-4 |
| Molecular Weight (g/mol) | 102.093 |
| MDL Number | MFCD00008034 |
| SMILES | C(C(=O)N)C(=O)N |
| Synonym | malonamide,malonodiamide,malondiamide,malonyldiamide,carboxamidoacetamide,malonic acid diamide,malonic diamide,unii-qvq8cng255,qvq8cng255,methane-1,1-dicarboxamide |
| IUPAC Name | propanediamide |
| InChI Key | WRIRWRKPLXCTFD-UHFFFAOYSA-N |
| Molecular Formula | C3H6N2O2 |
Ethyl Malonyl Chloride 97.0+%, TCI America™
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CAS: 36239-09-5 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000736 InChI Key: KWFADUNOPOSMIJ-UHFFFAOYSA-N Synonym: ethyl 3-chloro-3-oxopropionate,ethyl chloroformylacetate,ethyl chloroformyl acetate,propanoic acid, 3-chloro-3-oxo-, ethyl ester,ethyl3-chloro-3-oxopropanoate,ethyl malonylchloride,carbethoxyacetyl chloride,2-ethoxycarbonylacetyl chloride,ethyl 2-chlorocarbonyl acetate,chloroformyl acetic acid ethyl ester PubChem CID: 118931 IUPAC Name: ethyl 3-chloro-3-oxopropanoate SMILES: CCOC(=O)CC(Cl)=O
| PubChem CID | 118931 |
|---|---|
| CAS | 36239-09-5 |
| Molecular Weight (g/mol) | 150.56 |
| MDL Number | MFCD00000736 |
| SMILES | CCOC(=O)CC(Cl)=O |
| Synonym | ethyl 3-chloro-3-oxopropionate,ethyl chloroformylacetate,ethyl chloroformyl acetate,propanoic acid, 3-chloro-3-oxo-, ethyl ester,ethyl3-chloro-3-oxopropanoate,ethyl malonylchloride,carbethoxyacetyl chloride,2-ethoxycarbonylacetyl chloride,ethyl 2-chlorocarbonyl acetate,chloroformyl acetic acid ethyl ester |
| IUPAC Name | ethyl 3-chloro-3-oxopropanoate |
| InChI Key | KWFADUNOPOSMIJ-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClO3 |
4-Acetyldiphenyl Sulfide 98.0+%, TCI America™
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CAS: 10169-55-8 Molecular Formula: C14H12OS Molecular Weight (g/mol): 228.31 MDL Number: MFCD00026227 InChI Key: XUDYHODVSUXRPW-UHFFFAOYSA-N Synonym: 4-acetyldiphenyl sulfide,1-4-phenylthio phenyl ethanone,4-acetyl diphenyl sulfide,4'-phenylthio acetophenone,1-4-phenylsulfanyl phenyl ethanone,1-4-phenylsulfanylphenyl ethanone,1-4-phenylthio phenyl ethan-1-one,ethanone, 1-4-phenylthio phenyl,1-acetyl-4-phenylthiobenzene PubChem CID: 66287 IUPAC Name: 1-[4-(phenylsulfanyl)phenyl]ethan-1-one SMILES: CC(=O)C1=CC=C(SC2=CC=CC=C2)C=C1
| PubChem CID | 66287 |
|---|---|
| CAS | 10169-55-8 |
| Molecular Weight (g/mol) | 228.31 |
| MDL Number | MFCD00026227 |
| SMILES | CC(=O)C1=CC=C(SC2=CC=CC=C2)C=C1 |
| Synonym | 4-acetyldiphenyl sulfide,1-4-phenylthio phenyl ethanone,4-acetyl diphenyl sulfide,4'-phenylthio acetophenone,1-4-phenylsulfanyl phenyl ethanone,1-4-phenylsulfanylphenyl ethanone,1-4-phenylthio phenyl ethan-1-one,ethanone, 1-4-phenylthio phenyl,1-acetyl-4-phenylthiobenzene |
| IUPAC Name | 1-[4-(phenylsulfanyl)phenyl]ethan-1-one |
| InChI Key | XUDYHODVSUXRPW-UHFFFAOYSA-N |
| Molecular Formula | C14H12OS |
2'-(Trifluoromethoxy)acetophenone 98.0+%, TCI America™
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CAS: 220227-93-0 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.148 MDL Number: MFCD00236320 InChI Key: XTXSTESGCXKUIH-UHFFFAOYSA-N Synonym: 2'-trifluoromethoxy acetophenone,1-2-trifluoromethoxy phenyl ethanone,1-2-trifluoromethoxy phenyl ethan-1-one,1-acetyl-2-trifluoromethoxy benzene,pubchem4295,2-trifluoromethoxy acetophenone98,1-2-trifluoromethoxyphenyl ethanone,2'-trifluoromethoxy acetophenone98 PubChem CID: 2777176 IUPAC Name: 1-[2-(trifluoromethoxy)phenyl]ethanone SMILES: CC(=O)C1=CC=CC=C1OC(F)(F)F
| PubChem CID | 2777176 |
|---|---|
| CAS | 220227-93-0 |
| Molecular Weight (g/mol) | 204.148 |
| MDL Number | MFCD00236320 |
| SMILES | CC(=O)C1=CC=CC=C1OC(F)(F)F |
| Synonym | 2'-trifluoromethoxy acetophenone,1-2-trifluoromethoxy phenyl ethanone,1-2-trifluoromethoxy phenyl ethan-1-one,1-acetyl-2-trifluoromethoxy benzene,pubchem4295,2-trifluoromethoxy acetophenone98,1-2-trifluoromethoxyphenyl ethanone,2'-trifluoromethoxy acetophenone98 |
| IUPAC Name | 1-[2-(trifluoromethoxy)phenyl]ethanone |
| InChI Key | XTXSTESGCXKUIH-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |
2'-Aminoacetophenone, TCI America™
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CAS: 551-93-9 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD00007717 InChI Key: GTDQGKWDWVUKTI-UHFFFAOYSA-N Synonym: 2'-aminoacetophenone,1-2-aminophenyl ethanone,o-aminoacetophenone,2-acetylaniline,o-acetylaniline,o-aminoacetylbenzene,1-acetyl-2-aminobenzene,1-2-aminophenyl ethan-1-one,acetophenone, 2'-amino,ethanone, 1-2-aminophenyl PubChem CID: 11086 IUPAC Name: 1-(2-aminophenyl)ethan-1-one SMILES: CC(=O)C1=CC=CC=C1N
| PubChem CID | 11086 |
|---|---|
| CAS | 551-93-9 |
| Molecular Weight (g/mol) | 135.17 |
| MDL Number | MFCD00007717 |
| SMILES | CC(=O)C1=CC=CC=C1N |
| Synonym | 2'-aminoacetophenone,1-2-aminophenyl ethanone,o-aminoacetophenone,2-acetylaniline,o-acetylaniline,o-aminoacetylbenzene,1-acetyl-2-aminobenzene,1-2-aminophenyl ethan-1-one,acetophenone, 2'-amino,ethanone, 1-2-aminophenyl |
| IUPAC Name | 1-(2-aminophenyl)ethan-1-one |
| InChI Key | GTDQGKWDWVUKTI-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
Isatin 98.0+%, TCI America™
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CAS: 91-56-5 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00005718 InChI Key: JXDYKVIHCLTXOP-UHFFFAOYSA-N Synonym: isatin,indoline-2,3-dione,2,3-indolinedione,indole-2,3-dione,isatine,2,3-dioxoindoline,pseudoisatin,tribulin,isotin,isatic acid lactam PubChem CID: 7054 ChEBI: CHEBI:27539 IUPAC Name: 1H-indole-2,3-dione SMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2
| PubChem CID | 7054 |
|---|---|
| CAS | 91-56-5 |
| Molecular Weight (g/mol) | 147.133 |
| ChEBI | CHEBI:27539 |
| MDL Number | MFCD00005718 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=O)N2 |
| Synonym | isatin,indoline-2,3-dione,2,3-indolinedione,indole-2,3-dione,isatine,2,3-dioxoindoline,pseudoisatin,tribulin,isotin,isatic acid lactam |
| IUPAC Name | 1H-indole-2,3-dione |
| InChI Key | JXDYKVIHCLTXOP-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO2 |
10-Undecenal 95.0+%, TCI America™
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CAS: 112-45-8 Molecular Formula: C11H20O Molecular Weight (g/mol): 168.28 MDL Number: MFCD00007032 InChI Key: OFHHDSQXFXLTKC-UHFFFAOYSA-N Synonym: 10-undecenal,undecylenic aldehyde,undecylenaldehyde,hendecenal,10-undecen-1-al,1-undecen-10-al,10-undecylenealdehyde,10-hendecenal,10-undecenyl aldehyde,c-11 aldehyde, undecylenic PubChem CID: 8187 IUPAC Name: undec-10-enal SMILES: C=CCCCCCCCCC=O
| PubChem CID | 8187 |
|---|---|
| CAS | 112-45-8 |
| Molecular Weight (g/mol) | 168.28 |
| MDL Number | MFCD00007032 |
| SMILES | C=CCCCCCCCCC=O |
| Synonym | 10-undecenal,undecylenic aldehyde,undecylenaldehyde,hendecenal,10-undecen-1-al,1-undecen-10-al,10-undecylenealdehyde,10-hendecenal,10-undecenyl aldehyde,c-11 aldehyde, undecylenic |
| IUPAC Name | undec-10-enal |
| InChI Key | OFHHDSQXFXLTKC-UHFFFAOYSA-N |
| Molecular Formula | C11H20O |
2-Chloro-3',4'-difluoroacetophenone 98.0+%, TCI America™
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CAS: 51336-95-9 Molecular Formula: C8H5ClF2O Molecular Weight (g/mol): 190.574 MDL Number: MFCD03966888 InChI Key: VMEDAWUIKFAFJQ-UHFFFAOYSA-N PubChem CID: 2392321 IUPAC Name: 2-chloro-1-(3,4-difluorophenyl)ethanone SMILES: C1=CC(=C(C=C1C(=O)CCl)F)F
| PubChem CID | 2392321 |
|---|---|
| CAS | 51336-95-9 |
| Molecular Weight (g/mol) | 190.574 |
| MDL Number | MFCD03966888 |
| SMILES | C1=CC(=C(C=C1C(=O)CCl)F)F |
| IUPAC Name | 2-chloro-1-(3,4-difluorophenyl)ethanone |
| InChI Key | VMEDAWUIKFAFJQ-UHFFFAOYSA-N |
| Molecular Formula | C8H5ClF2O |
2'-Fluoro-4'-methoxyacetophenone 98.0+%, TCI America™
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CAS: 74457-86-6 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.17 MDL Number: MFCD00042290 InChI Key: PIRRWUMTIBFCCW-UHFFFAOYSA-N Synonym: 2'-fluoro-4'-methoxyacetophenone,2-fluoro-4-methoxyacetophenone,1-2-fluoro-4-methoxyphenyl ethanone,1-2-fluoro-4-methoxyphenyl ethan-1-one,4-acetyl-3-fluoroanisole,1-acetyl-2-fluoro-4-methoxybenzene,2'-fluor-4'-methoxyacetophenone,2-fluoro-4-methoxy-acetophenone,ethanone, 1-2-fluoro-4-methoxyphenyl,zlchem 344 PubChem CID: 592821 IUPAC Name: 1-(2-fluoro-4-methoxyphenyl)ethan-1-one SMILES: COC1=CC=C(C(C)=O)C(F)=C1
| PubChem CID | 592821 |
|---|---|
| CAS | 74457-86-6 |
| Molecular Weight (g/mol) | 168.17 |
| MDL Number | MFCD00042290 |
| SMILES | COC1=CC=C(C(C)=O)C(F)=C1 |
| Synonym | 2'-fluoro-4'-methoxyacetophenone,2-fluoro-4-methoxyacetophenone,1-2-fluoro-4-methoxyphenyl ethanone,1-2-fluoro-4-methoxyphenyl ethan-1-one,4-acetyl-3-fluoroanisole,1-acetyl-2-fluoro-4-methoxybenzene,2'-fluor-4'-methoxyacetophenone,2-fluoro-4-methoxy-acetophenone,ethanone, 1-2-fluoro-4-methoxyphenyl,zlchem 344 |
| IUPAC Name | 1-(2-fluoro-4-methoxyphenyl)ethan-1-one |
| InChI Key | PIRRWUMTIBFCCW-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO2 |
2',4'-Dihydroxypropiophenone 98.0+%, TCI America™
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CAS: 5792-36-9 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002280 InChI Key: LLBBBYLDTDJMNU-UHFFFAOYSA-N Synonym: 2',4'-dihydroxypropiophenone,1-2,4-dihydroxyphenyl propan-1-one,2,4-dihydroxypropiophenone,4-propionylresorcinol,1-propanone, 1-2,4-dihydroxyphenyl,respropiophenone,resorcinol fragment, 9,acmc-209m1c,2',4'-dihydroxy-propiophenone,2/',4/'-dihydroxypropiophenone PubChem CID: 79856 IUPAC Name: 1-(2,4-dihydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=C(C=C(C=C1)O)O
| PubChem CID | 79856 |
|---|---|
| CAS | 5792-36-9 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00002280 |
| SMILES | CCC(=O)C1=C(C=C(C=C1)O)O |
| Synonym | 2',4'-dihydroxypropiophenone,1-2,4-dihydroxyphenyl propan-1-one,2,4-dihydroxypropiophenone,4-propionylresorcinol,1-propanone, 1-2,4-dihydroxyphenyl,respropiophenone,resorcinol fragment, 9,acmc-209m1c,2',4'-dihydroxy-propiophenone,2/',4/'-dihydroxypropiophenone |
| IUPAC Name | 1-(2,4-dihydroxyphenyl)propan-1-one |
| InChI Key | LLBBBYLDTDJMNU-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2,2,2-Trifluoroacetophenone 98.0+%, TCI America™
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CAS: 434-45-7 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.122 MDL Number: MFCD00000420 InChI Key: KZJRKRQSDZGHEC-UHFFFAOYSA-N Synonym: trifluoroacetophenone,2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-phenylethan-1-one,phenyl trifluoromethyl ketone,trifluoromethyl phenyl ketone,alpha,alpha,alpha-trifluoroacetophenone,ethanone, 2,2,2-trifluoro-1-phenyl,2,2,2-trifluoro-1-phenyl-ethanone,trifluoroacetylbenzene,unii-6t7l1upy09 PubChem CID: 9905 IUPAC Name: 2,2,2-trifluoro-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(F)(F)F
| PubChem CID | 9905 |
|---|---|
| CAS | 434-45-7 |
| Molecular Weight (g/mol) | 174.122 |
| MDL Number | MFCD00000420 |
| SMILES | C1=CC=C(C=C1)C(=O)C(F)(F)F |
| Synonym | trifluoroacetophenone,2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-phenylethan-1-one,phenyl trifluoromethyl ketone,trifluoromethyl phenyl ketone,alpha,alpha,alpha-trifluoroacetophenone,ethanone, 2,2,2-trifluoro-1-phenyl,2,2,2-trifluoro-1-phenyl-ethanone,trifluoroacetylbenzene,unii-6t7l1upy09 |
| IUPAC Name | 2,2,2-trifluoro-1-phenylethanone |
| InChI Key | KZJRKRQSDZGHEC-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O |
Isovalerophenone 99.0+%, TCI America™
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CAS: 582-62-7 Molecular Formula: C11H14O Molecular Weight (g/mol): 162.23 MDL Number: MFCD00026486 InChI Key: HEOVGVNITGAUKL-UHFFFAOYSA-N Synonym: Isobutyl Phenyl Ketone PubChem CID: 68493 IUPAC Name: 3-methyl-1-phenylbutan-1-one SMILES: CC(C)CC(=O)C1=CC=CC=C1
| PubChem CID | 68493 |
|---|---|
| CAS | 582-62-7 |
| Molecular Weight (g/mol) | 162.23 |
| MDL Number | MFCD00026486 |
| SMILES | CC(C)CC(=O)C1=CC=CC=C1 |
| Synonym | Isobutyl Phenyl Ketone |
| IUPAC Name | 3-methyl-1-phenylbutan-1-one |
| InChI Key | HEOVGVNITGAUKL-UHFFFAOYSA-N |
| Molecular Formula | C11H14O |
3',4'-Difluoroacetophenone 97.0+%, TCI America™
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CAS: 369-33-5 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.132 MDL Number: MFCD00009891 InChI Key: VWJSSJFLXRMYNV-UHFFFAOYSA-N Synonym: 3',4'-difluoroacetophenone,1-3,4-difluorophenyl ethanone,3,4-difluoroacetophenone,1-3,4-difluorophenyl ethan-1-one,ethanone, 1-3,4-difluorophenyl,1-3,4-difluoro-phenyl-ethanone,3,4,-difluoroacetophenone,1-acetyl-3,4-difluorobenzene,pubchem3089,acmc-209ipo PubChem CID: 123052 IUPAC Name: 1-(3,4-difluorophenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)F)F
| PubChem CID | 123052 |
|---|---|
| CAS | 369-33-5 |
| Molecular Weight (g/mol) | 156.132 |
| MDL Number | MFCD00009891 |
| SMILES | CC(=O)C1=CC(=C(C=C1)F)F |
| Synonym | 3',4'-difluoroacetophenone,1-3,4-difluorophenyl ethanone,3,4-difluoroacetophenone,1-3,4-difluorophenyl ethan-1-one,ethanone, 1-3,4-difluorophenyl,1-3,4-difluoro-phenyl-ethanone,3,4,-difluoroacetophenone,1-acetyl-3,4-difluorobenzene,pubchem3089,acmc-209ipo |
| IUPAC Name | 1-(3,4-difluorophenyl)ethanone |
| InChI Key | VWJSSJFLXRMYNV-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O |
6-Fluoro-2-methyl-4-chromanone 97.0+%, TCI America™
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CAS: 88754-96-5 Molecular Formula: C10H9FO2 Molecular Weight (g/mol): 180.18 MDL Number: MFCD00059072 InChI Key: RPAIBTVEPAACRP-UHFFFAOYNA-N PubChem CID: 2737390 IUPAC Name: 6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-one SMILES: CC1CC(=O)C2=C(O1)C=CC(F)=C2
| PubChem CID | 2737390 |
|---|---|
| CAS | 88754-96-5 |
| Molecular Weight (g/mol) | 180.18 |
| MDL Number | MFCD00059072 |
| SMILES | CC1CC(=O)C2=C(O1)C=CC(F)=C2 |
| IUPAC Name | 6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-one |
| InChI Key | RPAIBTVEPAACRP-UHFFFAOYNA-N |
| Molecular Formula | C10H9FO2 |
6-Bromoindole-3-carboxaldehyde 98.0+%, TCI America™
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CAS: 17826-04-9 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.06 MDL Number: MFCD00792689 InChI Key: WCCLQCBKBPTODV-UHFFFAOYSA-N Synonym: 6-bromoindole-3-carboxaldehyde,6-bromoindole-3-carbaldehyde,6-bromo-3-formylindole,6-bromo-1h-indole-3-carboxaldehyde,6-bromindol-3-carbaldehyde,1h-indole-3-carboxaldehyde, 6-bromo,pubchem7691,acmc-209ee9,ksc536o3d,wcclqcbkbptodv-uhfffaoysa PubChem CID: 2794830 IUPAC Name: 6-bromo-1H-indole-3-carbaldehyde SMILES: BrC1=CC=C2C(NC=C2C=O)=C1
| PubChem CID | 2794830 |
|---|---|
| CAS | 17826-04-9 |
| Molecular Weight (g/mol) | 224.06 |
| MDL Number | MFCD00792689 |
| SMILES | BrC1=CC=C2C(NC=C2C=O)=C1 |
| Synonym | 6-bromoindole-3-carboxaldehyde,6-bromoindole-3-carbaldehyde,6-bromo-3-formylindole,6-bromo-1h-indole-3-carboxaldehyde,6-bromindol-3-carbaldehyde,1h-indole-3-carboxaldehyde, 6-bromo,pubchem7691,acmc-209ee9,ksc536o3d,wcclqcbkbptodv-uhfffaoysa |
| IUPAC Name | 6-bromo-1H-indole-3-carbaldehyde |
| InChI Key | WCCLQCBKBPTODV-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO |