Carbonyl compounds
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1-Hexen-3-one, 90+%, stab. with 0.5% 4-methoxyphenol
CAS: 1629-60-3 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00051563 InChI Key: JTHNLKXLWOXOQK-UHFFFAOYSA-N Synonym: 1-hexen-3-one,propyl vinyl ketone,unii-qh9d98z86n,1-hexenone-3,n-propylacrolein,vinyl propyl ketone,acmc-1bt5f,1-hexene-3-one PubChem CID: 15395 IUPAC Name: hex-1-en-3-one SMILES: CCCC(=O)C=C
| PubChem CID | 15395 |
|---|---|
| CAS | 1629-60-3 |
| Molecular Weight (g/mol) | 98.145 |
| MDL Number | MFCD00051563 |
| SMILES | CCCC(=O)C=C |
| Synonym | 1-hexen-3-one,propyl vinyl ketone,unii-qh9d98z86n,1-hexenone-3,n-propylacrolein,vinyl propyl ketone,acmc-1bt5f,1-hexene-3-one |
| IUPAC Name | hex-1-en-3-one |
| InChI Key | JTHNLKXLWOXOQK-UHFFFAOYSA-N |
| Molecular Formula | C6H10O |
4-Fluoro-1-indanone, 97%
CAS: 699-99-0 Molecular Formula: C9H7FO Molecular Weight (g/mol): 150.152 MDL Number: MFCD00797829 InChI Key: HOMSJDBZHCPYHY-UHFFFAOYSA-N Synonym: 4-fluoro-1-indanone,4-fluoro-2,3-dihydro-1h-inden-1-one,4-fluoro-indan-1-one,4-fluoroindan-1-one,1h-inden-1-one, 4-fluoro-2,3-dihydro,4-fluoro-2,3-dihydro-1-indenone,4-fluoroindane-1-one,acmc-20a8cy,4-fluoranyl-2,3-dihydroinden-1-one PubChem CID: 12174986 IUPAC Name: 4-fluoro-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C(=CC=C2)F
| PubChem CID | 12174986 |
|---|---|
| CAS | 699-99-0 |
| Molecular Weight (g/mol) | 150.152 |
| MDL Number | MFCD00797829 |
| SMILES | C1CC(=O)C2=C1C(=CC=C2)F |
| Synonym | 4-fluoro-1-indanone,4-fluoro-2,3-dihydro-1h-inden-1-one,4-fluoro-indan-1-one,4-fluoroindan-1-one,1h-inden-1-one, 4-fluoro-2,3-dihydro,4-fluoro-2,3-dihydro-1-indenone,4-fluoroindane-1-one,acmc-20a8cy,4-fluoranyl-2,3-dihydroinden-1-one |
| IUPAC Name | 4-fluoro-2,3-dihydroinden-1-one |
| InChI Key | HOMSJDBZHCPYHY-UHFFFAOYSA-N |
| Molecular Formula | C9H7FO |
2',3',4',5',6'-Pentafluoroacetophenone, 97%
CAS: 652-29-9 Molecular Formula: C8H3F5O Molecular Weight (g/mol): 210.10 MDL Number: MFCD00000296 InChI Key: FBGHCYZBCMDEOX-UHFFFAOYSA-N Synonym: 2',3',4',5',6'-pentafluoroacetophenone,1-perfluorophenyl ethanone,pentafluoroacetophenone,1-pentafluorophenyl ethan-1-one,ethanone, 1-pentafluorophenyl,2,3,4,5,6-pentafluoroacetophenone,1-pentafluorphenyl ethanon,1-acetyl-2,3,4,5,6-pentafluorobenzene,acmc-209npz,1-pentafluorophenylethanone PubChem CID: 69546 SMILES: CC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 69546 |
|---|---|
| CAS | 652-29-9 |
| Molecular Weight (g/mol) | 210.10 |
| MDL Number | MFCD00000296 |
| SMILES | CC(=O)C1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | 2',3',4',5',6'-pentafluoroacetophenone,1-perfluorophenyl ethanone,pentafluoroacetophenone,1-pentafluorophenyl ethan-1-one,ethanone, 1-pentafluorophenyl,2,3,4,5,6-pentafluoroacetophenone,1-pentafluorphenyl ethanon,1-acetyl-2,3,4,5,6-pentafluorobenzene,acmc-209npz,1-pentafluorophenylethanone |
| InChI Key | FBGHCYZBCMDEOX-UHFFFAOYSA-N |
| Molecular Formula | C8H3F5O |
5-Ethyl-2-furaldehyde, 98%
CAS: 23074-10-4 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00030605 InChI Key: XADGZBXFWQHBDB-UHFFFAOYSA-N PubChem CID: 89989 IUPAC Name: 5-ethylfuran-2-carbaldehyde SMILES: CCC1=CC=C(O1)C=O
| PubChem CID | 89989 |
|---|---|
| CAS | 23074-10-4 |
| Molecular Weight (g/mol) | 124.14 |
| MDL Number | MFCD00030605 |
| SMILES | CCC1=CC=C(O1)C=O |
| IUPAC Name | 5-ethylfuran-2-carbaldehyde |
| InChI Key | XADGZBXFWQHBDB-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
1,1,1-Trifluoro-3-phenylacetone, 97%
CAS: 350-92-5 Molecular Formula: C9H7F3O Molecular Weight (g/mol): 188.149 MDL Number: MFCD00068171 InChI Key: IAJKTOIWQHTZOS-UHFFFAOYSA-N Synonym: 3-phenyl-1,1,1-trifluoropropan-2-one,1,1,1-trifluoro-3-phenylacetone,1,1,1-trifluoro-3-phenyl-2-propanone,1,1,1-trifluoro-3-phenyl-propan-2-one,2-propanone, 1,1,1-trifluoro-3-phenyl,acmc-20amz1,trifluoromethylbenzyl ketone,benzyl trifluoromethyl ketone,trifluoromethyl benzyl ketone,ksc227m3d PubChem CID: 222958 IUPAC Name: 1,1,1-trifluoro-3-phenylpropan-2-one SMILES: C1=CC=C(C=C1)CC(=O)C(F)(F)F
| PubChem CID | 222958 |
|---|---|
| CAS | 350-92-5 |
| Molecular Weight (g/mol) | 188.149 |
| MDL Number | MFCD00068171 |
| SMILES | C1=CC=C(C=C1)CC(=O)C(F)(F)F |
| Synonym | 3-phenyl-1,1,1-trifluoropropan-2-one,1,1,1-trifluoro-3-phenylacetone,1,1,1-trifluoro-3-phenyl-2-propanone,1,1,1-trifluoro-3-phenyl-propan-2-one,2-propanone, 1,1,1-trifluoro-3-phenyl,acmc-20amz1,trifluoromethylbenzyl ketone,benzyl trifluoromethyl ketone,trifluoromethyl benzyl ketone,ksc227m3d |
| IUPAC Name | 1,1,1-trifluoro-3-phenylpropan-2-one |
| InChI Key | IAJKTOIWQHTZOS-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O |
1H-Benzimidazole-5-carbaldehyde, 97%, Thermo Scientific™
CAS: 58442-17-4 Molecular Formula: C8H6N2O Molecular Weight (g/mol): 146.149 InChI Key: ALCHVVTYAHQOFY-UHFFFAOYSA-N Synonym: 1h-benzimidazole-5-carbaldehyde,1h-benzimidazole-5-carboxaldehyde,1h-benzo d imidazole-5-carbaldehyde,benzimidazole-5-aldehyde,1h-1,3-benzodiazole-5-carbaldehyde,1h-benzimidazole-6-carboxaldehyde,benzimidazole-5-carboxaldehyde,1h-benzoimidazole-5-carbaldehyde,3h-benzoimidazole-5-carbaldehyde,pubchem9866 PubChem CID: 10012038 IUPAC Name: 3H-benzimidazole-5-carbaldehyde SMILES: C1=CC2=C(C=C1C=O)NC=N2
| PubChem CID | 10012038 |
|---|---|
| CAS | 58442-17-4 |
| Molecular Weight (g/mol) | 146.149 |
| SMILES | C1=CC2=C(C=C1C=O)NC=N2 |
| Synonym | 1h-benzimidazole-5-carbaldehyde,1h-benzimidazole-5-carboxaldehyde,1h-benzo d imidazole-5-carbaldehyde,benzimidazole-5-aldehyde,1h-1,3-benzodiazole-5-carbaldehyde,1h-benzimidazole-6-carboxaldehyde,benzimidazole-5-carboxaldehyde,1h-benzoimidazole-5-carbaldehyde,3h-benzoimidazole-5-carbaldehyde,pubchem9866 |
| IUPAC Name | 3H-benzimidazole-5-carbaldehyde |
| InChI Key | ALCHVVTYAHQOFY-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O |
2-Bromo-1-(3-thienyl)-1-ethanone, 97%, Thermo Scientific™
CAS: 1468-82-2 Molecular Formula: C6H5BrOS Molecular Weight (g/mol): 205.07 MDL Number: MFCD02677695 InChI Key: TXEJYUFJFSPCHH-UHFFFAOYSA-N PubChem CID: 2776379 SMILES: BrCC(=O)C1=CSC=C1
| PubChem CID | 2776379 |
|---|---|
| CAS | 1468-82-2 |
| Molecular Weight (g/mol) | 205.07 |
| MDL Number | MFCD02677695 |
| SMILES | BrCC(=O)C1=CSC=C1 |
| InChI Key | TXEJYUFJFSPCHH-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrOS |
1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde, Thermo Scientific™
CAS: 2644-93-1 Molecular Formula: C7H10N2O Molecular Weight (g/mol): 138.17 InChI Key: HMTUBXVXHHITGO-UHFFFAOYSA-N Synonym: 1,3,5-trimethyl-1h-pyrazole-4-carbaldehyde,1,3,5-trimethyl-1h-pyrazole-4-carboxaldehyde,1h-pyrazole-4-carboxaldehyde, 1,3,5-trimethyl,n-methyl-3,5-dimethyl-4-formylpyrazole,1,3,5-trimethyl-1h-pyrazole-4-carbaldehyde?,akos pao-0265,timtec-bb sbb000012,acmc-1cq3n,art-chem-bb b006543,ksc496q8h PubChem CID: 736515 IUPAC Name: 1,3,5-trimethylpyrazole-4-carbaldehyde SMILES: CC1=C(C(=NN1C)C)C=O
| PubChem CID | 736515 |
|---|---|
| CAS | 2644-93-1 |
| Molecular Weight (g/mol) | 138.17 |
| SMILES | CC1=C(C(=NN1C)C)C=O |
| Synonym | 1,3,5-trimethyl-1h-pyrazole-4-carbaldehyde,1,3,5-trimethyl-1h-pyrazole-4-carboxaldehyde,1h-pyrazole-4-carboxaldehyde, 1,3,5-trimethyl,n-methyl-3,5-dimethyl-4-formylpyrazole,1,3,5-trimethyl-1h-pyrazole-4-carbaldehyde?,akos pao-0265,timtec-bb sbb000012,acmc-1cq3n,art-chem-bb b006543,ksc496q8h |
| IUPAC Name | 1,3,5-trimethylpyrazole-4-carbaldehyde |
| InChI Key | HMTUBXVXHHITGO-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O |
4-Hydroxy-3,5-dimethylbenzaldehyde, 97+%
CAS: 2233-18-3 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00006946 InChI Key: UYGBSRJODQHNLQ-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-hydroxybenzaldehyde,benzaldehyde, 4-hydroxy-3,5-dimethyl,4-formyl-2,6-xylenol,4-hydroxy-3,5-dimethyl-benzaldehyde,unii-23pa2pmp9f,23pa2pmp9f,syringnldehyde,zlchem 510,pubchem8252,buttpark 9657-68 PubChem CID: 75222 IUPAC Name: 4-hydroxy-3,5-dimethylbenzaldehyde SMILES: CC1=CC(C=O)=CC(C)=C1O
| PubChem CID | 75222 |
|---|---|
| CAS | 2233-18-3 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00006946 |
| SMILES | CC1=CC(C=O)=CC(C)=C1O |
| Synonym | 3,5-dimethyl-4-hydroxybenzaldehyde,benzaldehyde, 4-hydroxy-3,5-dimethyl,4-formyl-2,6-xylenol,4-hydroxy-3,5-dimethyl-benzaldehyde,unii-23pa2pmp9f,23pa2pmp9f,syringnldehyde,zlchem 510,pubchem8252,buttpark 9657-68 |
| IUPAC Name | 4-hydroxy-3,5-dimethylbenzaldehyde |
| InChI Key | UYGBSRJODQHNLQ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
3-Formylthiophene-2-boronic acid, 97%
CAS: 17303-83-2 Molecular Formula: C5H5BO3S Molecular Weight (g/mol): 155.962 MDL Number: MFCD01075679 InChI Key: HYXMHAHVUFTVFZ-UHFFFAOYSA-N Synonym: 3-formylthiophen-2-yl boronic acid,3-formylthiophene-2-boronic acid,3-formyl-2-thienyl boronic acid,3-formyl-2-thiopheneboronic acid,3-formylthiophen-2-yl-2-boronic acid,3-formyl-2-thienylboronic acid,3-thiophenecarbaldehyde boronic acid,boronic acid, 3-formyl-2-thienyl,3-formylthiophen-2-boronic acid,boronic acid,b-3-formyl-2-thienyl PubChem CID: 2773429 IUPAC Name: (3-formylthiophen-2-yl)boronic acid SMILES: B(C1=C(C=CS1)C=O)(O)O
| PubChem CID | 2773429 |
|---|---|
| CAS | 17303-83-2 |
| Molecular Weight (g/mol) | 155.962 |
| MDL Number | MFCD01075679 |
| SMILES | B(C1=C(C=CS1)C=O)(O)O |
| Synonym | 3-formylthiophen-2-yl boronic acid,3-formylthiophene-2-boronic acid,3-formyl-2-thienyl boronic acid,3-formyl-2-thiopheneboronic acid,3-formylthiophen-2-yl-2-boronic acid,3-formyl-2-thienylboronic acid,3-thiophenecarbaldehyde boronic acid,boronic acid, 3-formyl-2-thienyl,3-formylthiophen-2-boronic acid,boronic acid,b-3-formyl-2-thienyl |
| IUPAC Name | (3-formylthiophen-2-yl)boronic acid |
| InChI Key | HYXMHAHVUFTVFZ-UHFFFAOYSA-N |
| Molecular Formula | C5H5BO3S |
4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzaldehyde, 97%, Thermo Scientific™
CAS: 934570-54-4 Molecular Formula: C12H12N2O Molecular Weight (g/mol): 200.24 MDL Number: MFCD06800625 InChI Key: XSNMWJQOHKWNKY-UHFFFAOYSA-N Synonym: 4-3,5-dimethyl-1h-pyrazol-1-yl benzaldehyde,4-3,5-dimethylpyrazol-1-yl benzaldehyde,4-3,5-dimethylpyrazolyl benzaldehyde PubChem CID: 16640533 IUPAC Name: 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzaldehyde SMILES: CC1=NN(C(C)=C1)C1=CC=C(C=O)C=C1
| PubChem CID | 16640533 |
|---|---|
| CAS | 934570-54-4 |
| Molecular Weight (g/mol) | 200.24 |
| MDL Number | MFCD06800625 |
| SMILES | CC1=NN(C(C)=C1)C1=CC=C(C=O)C=C1 |
| Synonym | 4-3,5-dimethyl-1h-pyrazol-1-yl benzaldehyde,4-3,5-dimethylpyrazol-1-yl benzaldehyde,4-3,5-dimethylpyrazolyl benzaldehyde |
| IUPAC Name | 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzaldehyde |
| InChI Key | XSNMWJQOHKWNKY-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O |
1,2-Dibenzoylethane, 98+%
CAS: 495-71-6 Molecular Formula: C16H14O2 Molecular Weight (g/mol): 238.286 MDL Number: MFCD00037818 InChI Key: OSWWFLDIIGGSJV-UHFFFAOYSA-N Synonym: 1,2-dibenzoylethane,1,4-diphenyl-1,4-butanedione,1,4-butanedione, 1,4-diphenyl,biphenacyl,diphenacyl,2,2-biacetophenone,acmc-1bd9f,ethane, 1,2-dibenzoyl,succinophenone diphenacyl,cambridge id 5102527 PubChem CID: 136322 IUPAC Name: 1,4-diphenylbutane-1,4-dione SMILES: C1=CC=C(C=C1)C(=O)CCC(=O)C2=CC=CC=C2
| PubChem CID | 136322 |
|---|---|
| CAS | 495-71-6 |
| Molecular Weight (g/mol) | 238.286 |
| MDL Number | MFCD00037818 |
| SMILES | C1=CC=C(C=C1)C(=O)CCC(=O)C2=CC=CC=C2 |
| Synonym | 1,2-dibenzoylethane,1,4-diphenyl-1,4-butanedione,1,4-butanedione, 1,4-diphenyl,biphenacyl,diphenacyl,2,2-biacetophenone,acmc-1bd9f,ethane, 1,2-dibenzoyl,succinophenone diphenacyl,cambridge id 5102527 |
| IUPAC Name | 1,4-diphenylbutane-1,4-dione |
| InChI Key | OSWWFLDIIGGSJV-UHFFFAOYSA-N |
| Molecular Formula | C16H14O2 |
3',4',5'-Trimethoxyacetophenone, 99%
CAS: 1136-86-3 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00008738 InChI Key: VUGQIIQFXCXZJU-UHFFFAOYSA-N Synonym: 3',4',5'-trimethoxyacetophenone,1-3,4,5-trimethoxyphenyl ethanone,3,4,5-trimethoxyacetophenone,ethanone, 1-3,4,5-trimethoxyphenyl,1-3,4,5-trimethoxyphenyl ethan-1-one,3,4,5-trimethoxy acetophenone,pubchem22820,acmc-1c5os,3,5-trimethoxy acetophenone,1-acetyl-3,4,5-trimethoxybenzene PubChem CID: 14345 ChEBI: CHEBI:86547 IUPAC Name: 1-(3,4,5-trimethoxyphenyl)ethanone SMILES: COC1=CC(=CC(OC)=C1OC)C(C)=O
| PubChem CID | 14345 |
|---|---|
| CAS | 1136-86-3 |
| Molecular Weight (g/mol) | 210.23 |
| ChEBI | CHEBI:86547 |
| MDL Number | MFCD00008738 |
| SMILES | COC1=CC(=CC(OC)=C1OC)C(C)=O |
| Synonym | 3',4',5'-trimethoxyacetophenone,1-3,4,5-trimethoxyphenyl ethanone,3,4,5-trimethoxyacetophenone,ethanone, 1-3,4,5-trimethoxyphenyl,1-3,4,5-trimethoxyphenyl ethan-1-one,3,4,5-trimethoxy acetophenone,pubchem22820,acmc-1c5os,3,5-trimethoxy acetophenone,1-acetyl-3,4,5-trimethoxybenzene |
| IUPAC Name | 1-(3,4,5-trimethoxyphenyl)ethanone |
| InChI Key | VUGQIIQFXCXZJU-UHFFFAOYSA-N |
| Molecular Formula | C11H14O4 |
trans-2,cis-6-Nonadienal, 90+% (major isomer), remainder mainly trans,trans-isomer
CAS: 557-48-2 Molecular Formula: C9H14O Molecular Weight (g/mol): 138.21 MDL Number: MFCD00007009 InChI Key: HZYHMHHBBBSGHB-ODYTWBPASA-N Synonym: trans-2,cis-6-nonadienal,violet leaf aldehyde,cucumber aldehyde,2e,6z-nona-2,6-dienal,2,6-nonadienal, 2e,6z,nona-2,6-dienal,e,z-2,6-nonadienal,2e,6z-nonadienal,2e,6z-nona-2,6-dien-1-al,2-trans-6-cis-nonadienal PubChem CID: 643731 ChEBI: CHEBI:7610 IUPAC Name: (2E,6Z)-nona-2,6-dienal SMILES: CCC=CCCC=CC=O
| PubChem CID | 643731 |
|---|---|
| CAS | 557-48-2 |
| Molecular Weight (g/mol) | 138.21 |
| ChEBI | CHEBI:7610 |
| MDL Number | MFCD00007009 |
| SMILES | CCC=CCCC=CC=O |
| Synonym | trans-2,cis-6-nonadienal,violet leaf aldehyde,cucumber aldehyde,2e,6z-nona-2,6-dienal,2,6-nonadienal, 2e,6z,nona-2,6-dienal,e,z-2,6-nonadienal,2e,6z-nonadienal,2e,6z-nona-2,6-dien-1-al,2-trans-6-cis-nonadienal |
| IUPAC Name | (2E,6Z)-nona-2,6-dienal |
| InChI Key | HZYHMHHBBBSGHB-ODYTWBPASA-N |
| Molecular Formula | C9H14O |
2-Bromo-1-(4-thien-3-ylphenyl)ethanone, ≥95%, Thermo Scientific™
CAS: 879896-53-4 Molecular Formula: C12H9BrOS Molecular Weight (g/mol): 281.17 MDL Number: MFCD08435894 InChI Key: ZTZQYKSMNMDCKR-UHFFFAOYSA-N Synonym: 2-bromo-1-4-thien-3-ylphenyl ethanone,ethanone,2-bromo-1-4-3-thienyl phenyl,2-bromo-1-4-thiophen-3-yl phenyl ethanone,2-bromo-1-4-thiophen-3-yl phenyl ethan-1-one PubChem CID: 18525829 IUPAC Name: 2-bromo-1-(4-thiophen-3-ylphenyl)ethanone SMILES: BrCC(=O)C1=CC=C(C=C1)C1=CSC=C1
| PubChem CID | 18525829 |
|---|---|
| CAS | 879896-53-4 |
| Molecular Weight (g/mol) | 281.17 |
| MDL Number | MFCD08435894 |
| SMILES | BrCC(=O)C1=CC=C(C=C1)C1=CSC=C1 |
| Synonym | 2-bromo-1-4-thien-3-ylphenyl ethanone,ethanone,2-bromo-1-4-3-thienyl phenyl,2-bromo-1-4-thiophen-3-yl phenyl ethanone,2-bromo-1-4-thiophen-3-yl phenyl ethan-1-one |
| IUPAC Name | 2-bromo-1-(4-thiophen-3-ylphenyl)ethanone |
| InChI Key | ZTZQYKSMNMDCKR-UHFFFAOYSA-N |
| Molecular Formula | C12H9BrOS |