Carbonyl compounds
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3'-Chloroacetophenone, 98+%
CAS: 99-02-5 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.59 MDL Number: MFCD00000593 InChI Key: UUWJBXKHMMQDED-UHFFFAOYSA-N Synonym: 3'-chloroacetophenone,1-3-chlorophenyl ethanone,m-chloroacetophenone,ethanone, 1-3-chlorophenyl,3-chloroacetophenone,1-3-chlorophenyl ethan-1-one,3-chloro-acetophenone,acetophenone, 3'-chloro,1-3-chloro-phenyl-ethanone,3/'-chloroacetophenone PubChem CID: 14933 IUPAC Name: 1-(3-chlorophenyl)ethanone SMILES: CC(=O)C1=CC=CC(Cl)=C1
| PubChem CID | 14933 |
|---|---|
| CAS | 99-02-5 |
| Molecular Weight (g/mol) | 154.59 |
| MDL Number | MFCD00000593 |
| SMILES | CC(=O)C1=CC=CC(Cl)=C1 |
| Synonym | 3'-chloroacetophenone,1-3-chlorophenyl ethanone,m-chloroacetophenone,ethanone, 1-3-chlorophenyl,3-chloroacetophenone,1-3-chlorophenyl ethan-1-one,3-chloro-acetophenone,acetophenone, 3'-chloro,1-3-chloro-phenyl-ethanone,3/'-chloroacetophenone |
| IUPAC Name | 1-(3-chlorophenyl)ethanone |
| InChI Key | UUWJBXKHMMQDED-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO |
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 |
3-Hepten-2-one, 95%
CAS: 1119-44-4 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.17 MDL Number: MFCD00015564 InChI Key: JHHZQADGLDKIPM-AATRIKPKSA-N Synonym: 3-hepten-2-one,butylideneacetone,e-hept-3-en-2-one,3e-3-hepten-2-one,methyl pentenyl ketone,e-3-hepten-2-one,3-hepten-2-one, e,unii-tk02t5fjdo,tk02t5fjdo,3e-hept-3-en-2-one PubChem CID: 5364578 SMILES: CCC\C=C\C(C)=O
| PubChem CID | 5364578 |
|---|---|
| CAS | 1119-44-4 |
| Molecular Weight (g/mol) | 112.17 |
| MDL Number | MFCD00015564 |
| SMILES | CCC\C=C\C(C)=O |
| Synonym | 3-hepten-2-one,butylideneacetone,e-hept-3-en-2-one,3e-3-hepten-2-one,methyl pentenyl ketone,e-3-hepten-2-one,3-hepten-2-one, e,unii-tk02t5fjdo,tk02t5fjdo,3e-hept-3-en-2-one |
| InChI Key | JHHZQADGLDKIPM-AATRIKPKSA-N |
| Molecular Formula | C7H12O |
1-Bromo-2-butanone, 90%, stabilized, Thermo Scientific Chemicals
CAS: 816-40-0 Molecular Formula: C4H7BrO Molecular Weight (g/mol): 151 MDL Number: MFCD00000207 InChI Key: CCXQVBSQUQCEEO-UHFFFAOYSA-N Synonym: 1-bromo-2-butanone,2-butanone, 1-bromo,1-bromobutanone,bromomethyl ethyl ketone,bromobutanone,bromobutan-2-one,l-bromo-2-butanone,acmc-20aoxd,1-bromo-butan-2-one PubChem CID: 13156 IUPAC Name: 1-bromobutan-2-one SMILES: CCC(=O)CBr
| PubChem CID | 13156 |
|---|---|
| CAS | 816-40-0 |
| Molecular Weight (g/mol) | 151 |
| MDL Number | MFCD00000207 |
| SMILES | CCC(=O)CBr |
| Synonym | 1-bromo-2-butanone,2-butanone, 1-bromo,1-bromobutanone,bromomethyl ethyl ketone,bromobutanone,bromobutan-2-one,l-bromo-2-butanone,acmc-20aoxd,1-bromo-butan-2-one |
| IUPAC Name | 1-bromobutan-2-one |
| InChI Key | CCXQVBSQUQCEEO-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO |
5-Bromovanillin, 98%
CAS: 2973-76-4 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.05 MDL Number: MFCD00006940 InChI Key: KLSHZDPXXKAHIJ-UHFFFAOYSA-N Synonym: 5-bromovanillin,benzaldehyde, 3-bromo-4-hydroxy-5-methoxy,vanillin, 5-bromo,5-bromo-4-hydroxy-3-methoxybenzaldehyde,3-bromo-4-hydroxy-5-methoxy-benzaldehyde,unii-508wvs56pw,3-bromo-4-hydroxy-5-methyloxy benzaldehyde,5-bromovaniline,5-bromovanilline PubChem CID: 18099 IUPAC Name: 3-bromo-4-hydroxy-5-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC(Br)=C1O
| PubChem CID | 18099 |
|---|---|
| CAS | 2973-76-4 |
| Molecular Weight (g/mol) | 231.05 |
| MDL Number | MFCD00006940 |
| SMILES | COC1=CC(C=O)=CC(Br)=C1O |
| Synonym | 5-bromovanillin,benzaldehyde, 3-bromo-4-hydroxy-5-methoxy,vanillin, 5-bromo,5-bromo-4-hydroxy-3-methoxybenzaldehyde,3-bromo-4-hydroxy-5-methoxy-benzaldehyde,unii-508wvs56pw,3-bromo-4-hydroxy-5-methyloxy benzaldehyde,5-bromovaniline,5-bromovanilline |
| IUPAC Name | 3-bromo-4-hydroxy-5-methoxybenzaldehyde |
| InChI Key | KLSHZDPXXKAHIJ-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO3 |
5-Acetylthiophene-2-carbonitrile, 97%
CAS: 88653-55-8 Molecular Formula: C7H5NOS Molecular Weight (g/mol): 151.183 MDL Number: MFCD00052314 InChI Key: VSHPLUBHIUFLES-UHFFFAOYSA-N Synonym: 2-acetyl-5-cyanothiophene,2-acetyl-5-cyanotiophene,5-cyano-2-acetylthiophene,5-acetyl-2-thiophenecarbonitrile,maybridge1_000101,acmc-20ao65,2-cyano-5-acetyl-thiophene,5-acetyl-thiophene-2-carbonitrile,5-ethanoylthiophene-2-carbonitrile,2-thiophenecarbonitrile, 5-acetyl-7ci,9ci PubChem CID: 2747565 IUPAC Name: 5-acetylthiophene-2-carbonitrile SMILES: CC(=O)C1=CC=C(S1)C#N
| PubChem CID | 2747565 |
|---|---|
| CAS | 88653-55-8 |
| Molecular Weight (g/mol) | 151.183 |
| MDL Number | MFCD00052314 |
| SMILES | CC(=O)C1=CC=C(S1)C#N |
| Synonym | 2-acetyl-5-cyanothiophene,2-acetyl-5-cyanotiophene,5-cyano-2-acetylthiophene,5-acetyl-2-thiophenecarbonitrile,maybridge1_000101,acmc-20ao65,2-cyano-5-acetyl-thiophene,5-acetyl-thiophene-2-carbonitrile,5-ethanoylthiophene-2-carbonitrile,2-thiophenecarbonitrile, 5-acetyl-7ci,9ci |
| IUPAC Name | 5-acetylthiophene-2-carbonitrile |
| InChI Key | VSHPLUBHIUFLES-UHFFFAOYSA-N |
| Molecular Formula | C7H5NOS |
3-Octen-2-one, 97%
CAS: 1669-44-9 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00015565 InChI Key: ZCFOBLITZWHNNC-VOTSOKGWSA-N Synonym: 3-octen-2-one,trans-3-octen-2-one,e-3-octen-2-one,3e-3-octen-2-one,e-oct-3-en-2-one,unii-m26ah283xv,3-octen-2-one, e,3e-octen-2-one,3e-oct-3-en-2-one,hex-1-enyl methyl ketone PubChem CID: 5363229 IUPAC Name: (E)-oct-3-en-2-one SMILES: CCCCC=CC(=O)C
| PubChem CID | 5363229 |
|---|---|
| CAS | 1669-44-9 |
| Molecular Weight (g/mol) | 126.199 |
| MDL Number | MFCD00015565 |
| SMILES | CCCCC=CC(=O)C |
| Synonym | 3-octen-2-one,trans-3-octen-2-one,e-3-octen-2-one,3e-3-octen-2-one,e-oct-3-en-2-one,unii-m26ah283xv,3-octen-2-one, e,3e-octen-2-one,3e-oct-3-en-2-one,hex-1-enyl methyl ketone |
| IUPAC Name | (E)-oct-3-en-2-one |
| InChI Key | ZCFOBLITZWHNNC-VOTSOKGWSA-N |
| Molecular Formula | C8H14O |
2'-Fluoroacetophenone, 97%
CAS: 445-27-2 Molecular Formula: C8H7FO Molecular Weight (g/mol): 138.141 MDL Number: MFCD00000320 InChI Key: QMATYTFXDIWACW-UHFFFAOYSA-N Synonym: 2'-fluoroacetophenone,1-2-fluorophenyl ethanone,o-fluoroacetophenone,1-2-fluorophenyl ethan-1-one,1-acetyl-2-fluorobenzene,ethanone, 1-fluorophenyl,2-fluoroacetophenone,2'fluoroacetophenone,2;-fluoroacetophenone PubChem CID: 96744 IUPAC Name: 1-(2-fluorophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1F
| PubChem CID | 96744 |
|---|---|
| CAS | 445-27-2 |
| Molecular Weight (g/mol) | 138.141 |
| MDL Number | MFCD00000320 |
| SMILES | CC(=O)C1=CC=CC=C1F |
| Synonym | 2'-fluoroacetophenone,1-2-fluorophenyl ethanone,o-fluoroacetophenone,1-2-fluorophenyl ethan-1-one,1-acetyl-2-fluorobenzene,ethanone, 1-fluorophenyl,2-fluoroacetophenone,2'fluoroacetophenone,2;-fluoroacetophenone |
| IUPAC Name | 1-(2-fluorophenyl)ethanone |
| InChI Key | QMATYTFXDIWACW-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO |
4-Allyloxybenzaldehyde, 97%
CAS: 40663-68-1 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00014133 InChI Key: TYNJQOJWNMZQFZ-UHFFFAOYSA-N Synonym: 4-allyloxybenzaldehyde,4-allyloxy benzaldehyde,p-allyloxy benzaldehyde,p-allyloxybenzaldehyde,benzaldehyde, 4-2-propenyloxy,4-prop-2-en-1-yloxy benzaldehyde,4-prop-2-enyloxybenzaldehyde,4-allyloxybenzaldehyd,acmc-20ampt PubChem CID: 95942 IUPAC Name: 4-prop-2-enoxybenzaldehyde SMILES: C=CCOC1=CC=C(C=O)C=C1
| PubChem CID | 95942 |
|---|---|
| CAS | 40663-68-1 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00014133 |
| SMILES | C=CCOC1=CC=C(C=O)C=C1 |
| Synonym | 4-allyloxybenzaldehyde,4-allyloxy benzaldehyde,p-allyloxy benzaldehyde,p-allyloxybenzaldehyde,benzaldehyde, 4-2-propenyloxy,4-prop-2-en-1-yloxy benzaldehyde,4-prop-2-enyloxybenzaldehyde,4-allyloxybenzaldehyd,acmc-20ampt |
| IUPAC Name | 4-prop-2-enoxybenzaldehyde |
| InChI Key | TYNJQOJWNMZQFZ-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
1-Methyl-2-formylbenzimidazole, 99+%
CAS: 3012-80-4 Molecular Formula: C9H8N2O Molecular Weight (g/mol): 160.18 MDL Number: MFCD00142655 InChI Key: SIRPHJCQZYVEES-UHFFFAOYSA-N Synonym: 1-methyl-1h-benzoimidazole-2-carbaldehyde,1-methyl-1h-benzimidazole-2-carboxaldehyde,1-methyl-1h-benzimidazole-2-carbaldehyde,1-methyl-1h-benzo d imidazole-2-carbaldehyde,1-methyl-2-formylbenzimidazole,1h-benzimidazole-2-carboxaldehyde, 1-methyl,1-methyl-1h-1,3-benzodiazole-2-carbaldehyde,1-methyl-1,3-benzodiazole-2-carbaldehyde,1-methyl-2-benzimidazolecarboxaldehyde,pubchem16250 PubChem CID: 762084 IUPAC Name: 1-methylbenzimidazole-2-carbaldehyde SMILES: CN1C(C=O)=NC2=CC=CC=C12
| PubChem CID | 762084 |
|---|---|
| CAS | 3012-80-4 |
| Molecular Weight (g/mol) | 160.18 |
| MDL Number | MFCD00142655 |
| SMILES | CN1C(C=O)=NC2=CC=CC=C12 |
| Synonym | 1-methyl-1h-benzoimidazole-2-carbaldehyde,1-methyl-1h-benzimidazole-2-carboxaldehyde,1-methyl-1h-benzimidazole-2-carbaldehyde,1-methyl-1h-benzo d imidazole-2-carbaldehyde,1-methyl-2-formylbenzimidazole,1h-benzimidazole-2-carboxaldehyde, 1-methyl,1-methyl-1h-1,3-benzodiazole-2-carbaldehyde,1-methyl-1,3-benzodiazole-2-carbaldehyde,1-methyl-2-benzimidazolecarboxaldehyde,pubchem16250 |
| IUPAC Name | 1-methylbenzimidazole-2-carbaldehyde |
| InChI Key | SIRPHJCQZYVEES-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O |
4-Hydroxy-2-methoxybenzaldehyde, 98%
CAS: 18278-34-7 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00051964 InChI Key: WBIZZNFQJPOKDK-UHFFFAOYSA-N Synonym: 4-hydroxy-o-anisaldehyde,benzaldehyde, 4-hydroxy-2-methoxy,4-hydroxyl-2-methoxyl benzaldehyde,4-formyl-3-methoxyphenol,2-formyl-5-hydroxyanisole,4-hydroxy-2-methoxybenaldehyde,4-hydroxy-2-methoxybenzaldehdye,pubchem8130,acmc-209eju,argogel-mb-cho PubChem CID: 519541 IUPAC Name: 4-hydroxy-2-methoxybenzaldehyde SMILES: COC1=CC(O)=CC=C1C=O
| PubChem CID | 519541 |
|---|---|
| CAS | 18278-34-7 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00051964 |
| SMILES | COC1=CC(O)=CC=C1C=O |
| Synonym | 4-hydroxy-o-anisaldehyde,benzaldehyde, 4-hydroxy-2-methoxy,4-hydroxyl-2-methoxyl benzaldehyde,4-formyl-3-methoxyphenol,2-formyl-5-hydroxyanisole,4-hydroxy-2-methoxybenaldehyde,4-hydroxy-2-methoxybenzaldehdye,pubchem8130,acmc-209eju,argogel-mb-cho |
| IUPAC Name | 4-hydroxy-2-methoxybenzaldehyde |
| InChI Key | WBIZZNFQJPOKDK-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
2-Acetylphenylboronic acid, 96%
CAS: 308103-40-4 Molecular Formula: C8H9BO3 Molecular Weight (g/mol): 163.97 MDL Number: MFCD01321263 InChI Key: ZKAOVABYLXQUTI-UHFFFAOYSA-N Synonym: 2-acetylphenyl boronic acid,boronic acid, 2-acetylphenyl,2'-boronoacetophenone,1-2-boronophenyl ethan-1-one,2-acetylbenzeneboronic acid,2-acetylbenzenboronicacid,1-2-dihydroxyboranyl phenyl ethan-1-one,2-acetylphenylboronicacid,pubchem5373,acmc-1agh6 PubChem CID: 2734309 IUPAC Name: (2-acetylphenyl)boronic acid SMILES: CC(=O)C1=CC=CC=C1B(O)O
| PubChem CID | 2734309 |
|---|---|
| CAS | 308103-40-4 |
| Molecular Weight (g/mol) | 163.97 |
| MDL Number | MFCD01321263 |
| SMILES | CC(=O)C1=CC=CC=C1B(O)O |
| Synonym | 2-acetylphenyl boronic acid,boronic acid, 2-acetylphenyl,2'-boronoacetophenone,1-2-boronophenyl ethan-1-one,2-acetylbenzeneboronic acid,2-acetylbenzenboronicacid,1-2-dihydroxyboranyl phenyl ethan-1-one,2-acetylphenylboronicacid,pubchem5373,acmc-1agh6 |
| IUPAC Name | (2-acetylphenyl)boronic acid |
| InChI Key | ZKAOVABYLXQUTI-UHFFFAOYSA-N |
| Molecular Formula | C8H9BO3 |
Ethyl acetoacetate, 99+%, extra pure
CAS: 141-97-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00009199 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) | 130.14 |
| ChEBI | CHEBI:4893 |
| MDL Number | MFCD00009199 |
| 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 |
3-Acetyl-2,5-dichlorothiophene, 98%
CAS: 36157-40-1 Molecular Formula: C6H4Cl2OS Molecular Weight (g/mol): 195.057 MDL Number: MFCD00014522 InChI Key: GYFDNIRENHZKGR-UHFFFAOYSA-N Synonym: 3-acetyl-2,5-dichlorothiophene,1-2,5-dichlorothiophen-3-yl ethanone,1-2,5-dichloro-3-thienyl ethan-1-one,1-2,5-dichlorothiophen-3-yl ethan-1-one,1-2,5-dichloro-3-thienyl ethanone,2,5-dichloro-3-thienyl methyl ketone,ethanone, 1-2,5-dichloro-3-thienyl,1-2,5-dichloro-thiophen-3-yl-ethanone,1-2,5-dichlorothien-3-yl ethan-1-one,zlchem 481 PubChem CID: 118920 IUPAC Name: 1-(2,5-dichlorothiophen-3-yl)ethanone SMILES: CC(=O)C1=C(SC(=C1)Cl)Cl
| PubChem CID | 118920 |
|---|---|
| CAS | 36157-40-1 |
| Molecular Weight (g/mol) | 195.057 |
| MDL Number | MFCD00014522 |
| SMILES | CC(=O)C1=C(SC(=C1)Cl)Cl |
| Synonym | 3-acetyl-2,5-dichlorothiophene,1-2,5-dichlorothiophen-3-yl ethanone,1-2,5-dichloro-3-thienyl ethan-1-one,1-2,5-dichlorothiophen-3-yl ethan-1-one,1-2,5-dichloro-3-thienyl ethanone,2,5-dichloro-3-thienyl methyl ketone,ethanone, 1-2,5-dichloro-3-thienyl,1-2,5-dichloro-thiophen-3-yl-ethanone,1-2,5-dichlorothien-3-yl ethan-1-one,zlchem 481 |
| IUPAC Name | 1-(2,5-dichlorothiophen-3-yl)ethanone |
| InChI Key | GYFDNIRENHZKGR-UHFFFAOYSA-N |
| Molecular Formula | C6H4Cl2OS |
4'-Fluoropropiophenone, 97+%
CAS: 456-03-1 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.168 MDL Number: MFCD00000356 InChI Key: QIJNVLLXIIPXQT-UHFFFAOYSA-N Synonym: 4'-fluoropropiophenone,1-4-fluorophenyl propan-1-one,p-fluoropropiophenone,4-fluoropropiophenone,ethyl 4-fluorophenyl ketone,1-propanone, 1-4-fluorophenyl,propiophenone, 4'-fluoro,para-fluoropropiophenone,1-4-fluorophenyl-1-propanone,4;-fluoropropiophenone PubChem CID: 68004 IUPAC Name: 1-(4-fluorophenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(C=C1)F
| PubChem CID | 68004 |
|---|---|
| CAS | 456-03-1 |
| Molecular Weight (g/mol) | 152.168 |
| MDL Number | MFCD00000356 |
| SMILES | CCC(=O)C1=CC=C(C=C1)F |
| Synonym | 4'-fluoropropiophenone,1-4-fluorophenyl propan-1-one,p-fluoropropiophenone,4-fluoropropiophenone,ethyl 4-fluorophenyl ketone,1-propanone, 1-4-fluorophenyl,propiophenone, 4'-fluoro,para-fluoropropiophenone,1-4-fluorophenyl-1-propanone,4;-fluoropropiophenone |
| IUPAC Name | 1-(4-fluorophenyl)propan-1-one |
| InChI Key | QIJNVLLXIIPXQT-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO |