Carbonyl compounds
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Hexachloroacetone 98.0+%, TCI America™
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CAS: 116-16-5 Molecular Formula: C3Cl6O Molecular Weight (g/mol): 264.73 MDL Number: MFCD00000796 InChI Key: DOJXGHGHTWFZHK-UHFFFAOYSA-N Synonym: hexachloroacetone,hexachloro-2-propanone,perchloroacetone,hexachloropropanone,kureha hca,hca weedkiller,perchloro-2-propanone,bis trichloromethyl ketone,acetone, hexachloro,2-propanone, hexachloro PubChem CID: 8303 ChEBI: CHEBI:82243 IUPAC Name: hexachloropropan-2-one SMILES: ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl
| PubChem CID | 8303 |
|---|---|
| CAS | 116-16-5 |
| Molecular Weight (g/mol) | 264.73 |
| ChEBI | CHEBI:82243 |
| MDL Number | MFCD00000796 |
| SMILES | ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl |
| Synonym | hexachloroacetone,hexachloro-2-propanone,perchloroacetone,hexachloropropanone,kureha hca,hca weedkiller,perchloro-2-propanone,bis trichloromethyl ketone,acetone, hexachloro,2-propanone, hexachloro |
| IUPAC Name | hexachloropropan-2-one |
| InChI Key | DOJXGHGHTWFZHK-UHFFFAOYSA-N |
| Molecular Formula | C3Cl6O |
1-Bromo-3,3-dimethyl-2-butanone 95.0+%, TCI America™
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CAS: 5469-26-1 Molecular Formula: C6H11BrO Molecular Weight (g/mol): 179.057 MDL Number: MFCD00000206 InChI Key: SAIRZMWXVJEBMO-UHFFFAOYSA-N Synonym: 1-bromopinacolone,bromopinacolone,1-bromo-3,3-dimethyl-2-butanone,1-bromopinacolin,bromopinacolin,bromomethyl tert-butyl ketone,pivaloylmethyl bromide,tert-butyl bromomethyl ketone,2-butanone, 1-bromo-3,3-dimethyl,omega-brompinakolin german PubChem CID: 21642 IUPAC Name: 1-bromo-3,3-dimethylbutan-2-one SMILES: CC(C)(C)C(=O)CBr
| PubChem CID | 21642 |
|---|---|
| CAS | 5469-26-1 |
| Molecular Weight (g/mol) | 179.057 |
| MDL Number | MFCD00000206 |
| SMILES | CC(C)(C)C(=O)CBr |
| Synonym | 1-bromopinacolone,bromopinacolone,1-bromo-3,3-dimethyl-2-butanone,1-bromopinacolin,bromopinacolin,bromomethyl tert-butyl ketone,pivaloylmethyl bromide,tert-butyl bromomethyl ketone,2-butanone, 1-bromo-3,3-dimethyl,omega-brompinakolin german |
| IUPAC Name | 1-bromo-3,3-dimethylbutan-2-one |
| InChI Key | SAIRZMWXVJEBMO-UHFFFAOYSA-N |
| Molecular Formula | C6H11BrO |
3',5'-Dibenzyloxyacetophenone 97.0+%, TCI America™
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CAS: 28924-21-2 Molecular Formula: C22H20O3 Molecular Weight (g/mol): 332.399 MDL Number: MFCD00004777 InChI Key: KOJXGMJOTRYLBD-UHFFFAOYSA-N Synonym: 3',5'-dibenzyloxyacetophenone,3,5-dibenzyloxyacetophenone,ethanone, 1-3,5-bis phenylmethoxy phenyl,3,5-bis benzyloxy acetophenone,1-3,5-bis phenylmethoxy phenyl ethanone,1-3,5-bis benzyloxy phenyl ethanone,3',5'-bis benzyloxy acetophenone,ethanone,1-3,5-bis phenylmethoxy phenyl PubChem CID: 120098 IUPAC Name: 1-[3,5-bis(phenylmethoxy)phenyl]ethanone SMILES: CC(=O)C1=CC(=CC(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3
| PubChem CID | 120098 |
|---|---|
| CAS | 28924-21-2 |
| Molecular Weight (g/mol) | 332.399 |
| MDL Number | MFCD00004777 |
| SMILES | CC(=O)C1=CC(=CC(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3 |
| Synonym | 3',5'-dibenzyloxyacetophenone,3,5-dibenzyloxyacetophenone,ethanone, 1-3,5-bis phenylmethoxy phenyl,3,5-bis benzyloxy acetophenone,1-3,5-bis phenylmethoxy phenyl ethanone,1-3,5-bis benzyloxy phenyl ethanone,3',5'-bis benzyloxy acetophenone,ethanone,1-3,5-bis phenylmethoxy phenyl |
| IUPAC Name | 1-[3,5-bis(phenylmethoxy)phenyl]ethanone |
| InChI Key | KOJXGMJOTRYLBD-UHFFFAOYSA-N |
| Molecular Formula | C22H20O3 |
Methyl 9-Formylnonanoate 95.0+%, TCI America™
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CAS: 14811-73-5 Molecular Formula: C11H20O3 Molecular Weight (g/mol): 200.278 InChI Key: LVPNLDGNIRVDRF-UHFFFAOYSA-N Synonym: 9-Formylnonanoic Acid Methyl Ester PubChem CID: 519005 IUPAC Name: methyl 10-oxodecanoate SMILES: COC(=O)CCCCCCCCC=O
| PubChem CID | 519005 |
|---|---|
| CAS | 14811-73-5 |
| Molecular Weight (g/mol) | 200.278 |
| SMILES | COC(=O)CCCCCCCCC=O |
| Synonym | 9-Formylnonanoic Acid Methyl Ester |
| IUPAC Name | methyl 10-oxodecanoate |
| InChI Key | LVPNLDGNIRVDRF-UHFFFAOYSA-N |
| Molecular Formula | C11H20O3 |
Methyl 5-Acetylsalicylate 98.0+%, TCI America™
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CAS: 16475-90-4 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 InChI Key: XLSMGNNWSRNTIQ-UHFFFAOYSA-N PubChem CID: 85444 IUPAC Name: methyl 5-acetyl-2-hydroxybenzoate SMILES: CC(=O)C1=CC(=C(C=C1)O)C(=O)OC
| PubChem CID | 85444 |
|---|---|
| CAS | 16475-90-4 |
| Molecular Weight (g/mol) | 194.186 |
| SMILES | CC(=O)C1=CC(=C(C=C1)O)C(=O)OC |
| IUPAC Name | methyl 5-acetyl-2-hydroxybenzoate |
| InChI Key | XLSMGNNWSRNTIQ-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
4,4'-Difluorobenzil 98.0+%, TCI America™
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CAS: 579-39-5 Molecular Formula: C14H8F2O2 Molecular Weight (g/mol): 246.213 MDL Number: MFCD00134541 InChI Key: BRKULQOUSCHDGS-UHFFFAOYSA-N Synonym: 4,4'-difluorobenzil,1,2-bis 4-fluorophenyl ethane-1,2-dione,ethanedione, bis 4-fluorophenyl,4,4'-difluorodibenzoyl,1,2-ethanedione, 1,2-bis 4-fluorophenyl,bis 4-fluorophenyl ethane-1,2-dione,difluorobenzil,4,4'difluorobenzil,pubchem7683,acmc-1aylx PubChem CID: 123072 IUPAC Name: 1,2-bis(4-fluorophenyl)ethane-1,2-dione SMILES: C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)F)F
| PubChem CID | 123072 |
|---|---|
| CAS | 579-39-5 |
| Molecular Weight (g/mol) | 246.213 |
| MDL Number | MFCD00134541 |
| SMILES | C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)F)F |
| Synonym | 4,4'-difluorobenzil,1,2-bis 4-fluorophenyl ethane-1,2-dione,ethanedione, bis 4-fluorophenyl,4,4'-difluorodibenzoyl,1,2-ethanedione, 1,2-bis 4-fluorophenyl,bis 4-fluorophenyl ethane-1,2-dione,difluorobenzil,4,4'difluorobenzil,pubchem7683,acmc-1aylx |
| IUPAC Name | 1,2-bis(4-fluorophenyl)ethane-1,2-dione |
| InChI Key | BRKULQOUSCHDGS-UHFFFAOYSA-N |
| Molecular Formula | C14H8F2O2 |
2-tert-Butylanthraquinone 98.0+%, TCI America™
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CAS: 84-47-9 Molecular Formula: C18H16O2 Molecular Weight (g/mol): 264.32 MDL Number: MFCD00001232 InChI Key: YTPSFXZMJKMUJE-UHFFFAOYSA-N Synonym: 2-tert-butylanthraquinone,9,10-anthracenedione, 2-1,1-dimethylethyl,2-tert-butyl-9,10-anthraquinone,2-tert-butyl anthracene-9,10-dione,anthraquinone, 2-tert-butyl,beta-tert-butylanthraquinone,2-t-butylanthraquinone,.beta.-tert-butylanthraquinone,acmc-209puu,2-tert-butyl-anthrachinon PubChem CID: 66532 IUPAC Name: 2-tert-butyl-9,10-dihydroanthracene-9,10-dione SMILES: CC(C)(C)C1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1
| PubChem CID | 66532 |
|---|---|
| CAS | 84-47-9 |
| Molecular Weight (g/mol) | 264.32 |
| MDL Number | MFCD00001232 |
| SMILES | CC(C)(C)C1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1 |
| Synonym | 2-tert-butylanthraquinone,9,10-anthracenedione, 2-1,1-dimethylethyl,2-tert-butyl-9,10-anthraquinone,2-tert-butyl anthracene-9,10-dione,anthraquinone, 2-tert-butyl,beta-tert-butylanthraquinone,2-t-butylanthraquinone,.beta.-tert-butylanthraquinone,acmc-209puu,2-tert-butyl-anthrachinon |
| IUPAC Name | 2-tert-butyl-9,10-dihydroanthracene-9,10-dione |
| InChI Key | YTPSFXZMJKMUJE-UHFFFAOYSA-N |
| Molecular Formula | C18H16O2 |
4-Isopropoxybenzaldehyde 96.0+%, TCI America™
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CAS: 18962-05-5 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00052357 InChI Key: WDANSDASCKBVKH-UHFFFAOYSA-N Synonym: 4-isopropoxybenzaldehyde,4-propan-2-yloxy benzaldehyde,4-iso-propoxybenzaldehyde,benzaldehyde, 4-1-methylethoxy,4-propan-2-yl-oxy benzaldehyde,4-isopropoxy-1-formylbenzene,4-methylethoxy benzaldehyde,pubchem9651,p-isopropoxybenzaldehyde,4-isopropoxy-benzaldehyde PubChem CID: 250077 IUPAC Name: 4-propan-2-yloxybenzaldehyde SMILES: CC(C)OC1=CC=C(C=C1)C=O
| PubChem CID | 250077 |
|---|---|
| CAS | 18962-05-5 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00052357 |
| SMILES | CC(C)OC1=CC=C(C=C1)C=O |
| Synonym | 4-isopropoxybenzaldehyde,4-propan-2-yloxy benzaldehyde,4-iso-propoxybenzaldehyde,benzaldehyde, 4-1-methylethoxy,4-propan-2-yl-oxy benzaldehyde,4-isopropoxy-1-formylbenzene,4-methylethoxy benzaldehyde,pubchem9651,p-isopropoxybenzaldehyde,4-isopropoxy-benzaldehyde |
| IUPAC Name | 4-propan-2-yloxybenzaldehyde |
| InChI Key | WDANSDASCKBVKH-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
2-Bromopropiophenone 96.0+%, TCI America™
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Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)praseodymium(III) 97.0+%, TCI America™
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CAS: 17978-77-7 Molecular Formula: C30H33F21O6Pr Molecular Weight (g/mol): 1029.462 MDL Number: MFCD00064656 InChI Key: LICWBBABBAOMPH-VNGPFPIXSA-N Synonym: praseodymium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionate PubChem CID: 131668219 IUPAC Name: (Z)-1,1,1,2,2,3,3-heptafluoro-6-hydroxy-7,7-dimethyloct-5-en-4-one;praseodymium SMILES: CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.[Pr]
| PubChem CID | 131668219 |
|---|---|
| CAS | 17978-77-7 |
| Molecular Weight (g/mol) | 1029.462 |
| MDL Number | MFCD00064656 |
| SMILES | CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.[Pr] |
| Synonym | praseodymium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionate |
| IUPAC Name | (Z)-1,1,1,2,2,3,3-heptafluoro-6-hydroxy-7,7-dimethyloct-5-en-4-one;praseodymium |
| InChI Key | LICWBBABBAOMPH-VNGPFPIXSA-N |
| Molecular Formula | C30H33F21O6Pr |
Diethyl (2-Cyanoethyl)malonate 98.0+%, TCI America™
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CAS: 17216-62-5 Molecular Formula: C10H15NO4 Molecular Weight (g/mol): 213.233 MDL Number: MFCD00001966 InChI Key: YJJLOESDBPRZIP-UHFFFAOYSA-N Synonym: diethyl 2-2-cyanoethyl malonate,diethyl 2-cyanoethyl malonate,1,3-diethyl 2-2-cyanoethyl propanedioate,diethyl2-2-cyanoethyl malonate,diethyl 2-2-cyanoethyl-malonate,propanedioic acid, 2-cyanoethyl-, diethyl ester,2-cyanoethylmalonic acid diethylester,diethyl 2-2-cyanoethyl propane-1,3-dioate,pubchem14162 PubChem CID: 87005 IUPAC Name: diethyl 2-(2-cyanoethyl)propanedioate SMILES: CCOC(=O)C(CCC#N)C(=O)OCC
| PubChem CID | 87005 |
|---|---|
| CAS | 17216-62-5 |
| Molecular Weight (g/mol) | 213.233 |
| MDL Number | MFCD00001966 |
| SMILES | CCOC(=O)C(CCC#N)C(=O)OCC |
| Synonym | diethyl 2-2-cyanoethyl malonate,diethyl 2-cyanoethyl malonate,1,3-diethyl 2-2-cyanoethyl propanedioate,diethyl2-2-cyanoethyl malonate,diethyl 2-2-cyanoethyl-malonate,propanedioic acid, 2-cyanoethyl-, diethyl ester,2-cyanoethylmalonic acid diethylester,diethyl 2-2-cyanoethyl propane-1,3-dioate,pubchem14162 |
| IUPAC Name | diethyl 2-(2-cyanoethyl)propanedioate |
| InChI Key | YJJLOESDBPRZIP-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO4 |
Acetylacetonatobis(ethylene)rhodium(I), TCI America™
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CAS: 12082-47-2 Molecular Formula: C9H15O2Rh Molecular Weight (g/mol): 258.12 MDL Number: MFCD00015354 InChI Key: FLRBEQQDEGBCJS-FGSKAQBVSA-M Synonym: acetylacetonatobis ethylene rhodium i,bis ethylene 2,4-pentanedionato rhodium i,acetylacetonatobis ethylene rhodium,ethylene; z-4-oxopent-2-en-2-olate; rhodium PubChem CID: 11630270 IUPAC Name: λ¹-rhodium(1+) bis(ethene) (2Z)-4-oxopent-2-en-2-olate SMILES: [Rh+].C=C.C=C.C\C([O-])=C\C(C)=O
| PubChem CID | 11630270 |
|---|---|
| CAS | 12082-47-2 |
| Molecular Weight (g/mol) | 258.12 |
| MDL Number | MFCD00015354 |
| SMILES | [Rh+].C=C.C=C.C\C([O-])=C\C(C)=O |
| Synonym | acetylacetonatobis ethylene rhodium i,bis ethylene 2,4-pentanedionato rhodium i,acetylacetonatobis ethylene rhodium,ethylene; z-4-oxopent-2-en-2-olate; rhodium |
| IUPAC Name | λ¹-rhodium(1+) bis(ethene) (2Z)-4-oxopent-2-en-2-olate |
| InChI Key | FLRBEQQDEGBCJS-FGSKAQBVSA-M |
| Molecular Formula | C9H15O2Rh |
2-Amino-3-hydroxyanthraquinone 98.0+%, TCI America™
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CAS: 117-77-1 Molecular Formula: C14H9NO3 Molecular Weight (g/mol): 239.23 MDL Number: MFCD00059499 InChI Key: CNWWMJSRHGXXAX-UHFFFAOYSA-N PubChem CID: 67029 IUPAC Name: 2-amino-3-hydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)O)N
| PubChem CID | 67029 |
|---|---|
| CAS | 117-77-1 |
| Molecular Weight (g/mol) | 239.23 |
| MDL Number | MFCD00059499 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)O)N |
| IUPAC Name | 2-amino-3-hydroxyanthracene-9,10-dione |
| InChI Key | CNWWMJSRHGXXAX-UHFFFAOYSA-N |
| Molecular Formula | C14H9NO3 |
trans-2-Methyl-2-butenal 95.0+%, TCI America™
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CAS: 497-03-0 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00006977 InChI Key: ACWQBUSCFPJUPN-HWKANZROSA-N Synonym: tiglic aldehyde,trans-2-methyl-2-butenal,tiglaldehyde,2-methylbut-2-enal,e-2-methylbut-2-enal,tiglic acid aldehyde,e-2-methyl-2-butenal,2-butenal, 2-methyl-, e,tigaldehyde, trans,2-butenal, 2-methyl-, 2e PubChem CID: 5321950 IUPAC Name: (E)-2-methylbut-2-enal SMILES: CC=C(C)C=O
| PubChem CID | 5321950 |
|---|---|
| CAS | 497-03-0 |
| Molecular Weight (g/mol) | 84.118 |
| MDL Number | MFCD00006977 |
| SMILES | CC=C(C)C=O |
| Synonym | tiglic aldehyde,trans-2-methyl-2-butenal,tiglaldehyde,2-methylbut-2-enal,e-2-methylbut-2-enal,tiglic acid aldehyde,e-2-methyl-2-butenal,2-butenal, 2-methyl-, e,tigaldehyde, trans,2-butenal, 2-methyl-, 2e |
| IUPAC Name | (E)-2-methylbut-2-enal |
| InChI Key | ACWQBUSCFPJUPN-HWKANZROSA-N |
| Molecular Formula | C5H8O |
4'-Cyanoacetophenone 97.0+%, TCI America™
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CAS: 1443-80-7 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD00001825 InChI Key: NLPHXWGWBKZSJC-UHFFFAOYSA-N Synonym: 4'-cyanoacetophenone,benzonitrile, 4-acetyl,p-cyanoacetophenone,4-cyanoacetophenone,p-acetylbenzonitrile,4-acetyl-benzonitrile,benzonitrile, p-acetyl,4-acetylbenzenecarbonitrile,4-acetylbenznitrile PubChem CID: 74044 IUPAC Name: 4-acetylbenzonitrile SMILES: CC(=O)C1=CC=C(C=C1)C#N
| PubChem CID | 74044 |
|---|---|
| CAS | 1443-80-7 |
| Molecular Weight (g/mol) | 145.161 |
| MDL Number | MFCD00001825 |
| SMILES | CC(=O)C1=CC=C(C=C1)C#N |
| Synonym | 4'-cyanoacetophenone,benzonitrile, 4-acetyl,p-cyanoacetophenone,4-cyanoacetophenone,p-acetylbenzonitrile,4-acetyl-benzonitrile,benzonitrile, p-acetyl,4-acetylbenzenecarbonitrile,4-acetylbenznitrile |
| IUPAC Name | 4-acetylbenzonitrile |
| InChI Key | NLPHXWGWBKZSJC-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |