Carbonyl compounds
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Dihexyl Malonate 98.0+%, TCI America™
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CAS: 1431-37-4 Molecular Formula: C15H28O4 Molecular Weight (g/mol): 272.385 MDL Number: MFCD06797099 InChI Key: MQXAJNXSULJYCY-UHFFFAOYSA-N Synonym: Malonic Acid Dihexyl Ester PubChem CID: 9835215 IUPAC Name: dihexyl propanedioate SMILES: CCCCCCOC(=O)CC(=O)OCCCCCC
| PubChem CID | 9835215 |
|---|---|
| CAS | 1431-37-4 |
| Molecular Weight (g/mol) | 272.385 |
| MDL Number | MFCD06797099 |
| SMILES | CCCCCCOC(=O)CC(=O)OCCCCCC |
| Synonym | Malonic Acid Dihexyl Ester |
| IUPAC Name | dihexyl propanedioate |
| InChI Key | MQXAJNXSULJYCY-UHFFFAOYSA-N |
| Molecular Formula | C15H28O4 |
3-tert-Butylsalicylaldehyde 95.0+%, TCI America™
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CAS: 24623-65-2 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00778877 InChI Key: ROILLNJICXGZQQ-UHFFFAOYSA-N Synonym: 3-tert-butyl-2-hydroxybenzaldehyde,3-tert-butylsalicylaldehyde,3-t-butylsalicylaldehyde,benzaldehyde, 3-1,1-dimethylethyl-2-hydroxy,3-tert-butyl-2-hydroxy-benzaldehyde,3-tert-butyl salicylaldehyde,acmc-1ceew,3-tertbutylsalicylaldehyde,2-hydroxy-3-tert.butylbenzaldehyde,3-tert-butyl-2-oxidanyl-benzaldehyde PubChem CID: 3678675 IUPAC Name: 3-tert-butyl-2-hydroxybenzaldehyde SMILES: CC(C)(C)C1=CC=CC(C=O)=C1O
| PubChem CID | 3678675 |
|---|---|
| CAS | 24623-65-2 |
| Molecular Weight (g/mol) | 178.23 |
| MDL Number | MFCD00778877 |
| SMILES | CC(C)(C)C1=CC=CC(C=O)=C1O |
| Synonym | 3-tert-butyl-2-hydroxybenzaldehyde,3-tert-butylsalicylaldehyde,3-t-butylsalicylaldehyde,benzaldehyde, 3-1,1-dimethylethyl-2-hydroxy,3-tert-butyl-2-hydroxy-benzaldehyde,3-tert-butyl salicylaldehyde,acmc-1ceew,3-tertbutylsalicylaldehyde,2-hydroxy-3-tert.butylbenzaldehyde,3-tert-butyl-2-oxidanyl-benzaldehyde |
| IUPAC Name | 3-tert-butyl-2-hydroxybenzaldehyde |
| InChI Key | ROILLNJICXGZQQ-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
Vanillin (contains H2SO4) Ethanol Solution [for TLC Stain], TCI America™
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CAS: 121-33-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00006942,MFCD08702848 InChI Key: MWOOGOJBHIARFG-UHFFFAOYSA-N Synonym: vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde PubChem CID: 1183 ChEBI: CHEBI:18346 IUPAC Name: 4-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1O
| PubChem CID | 1183 |
|---|---|
| CAS | 121-33-5 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:18346 |
| MDL Number | MFCD00006942,MFCD08702848 |
| SMILES | COC1=CC(C=O)=CC=C1O |
| Synonym | vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde |
| IUPAC Name | 4-hydroxy-3-methoxybenzaldehyde |
| InChI Key | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
5-Bromo-1-indanone 98.0+%, TCI America™
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CAS: 34598-49-7 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.058 MDL Number: MFCD00082718 InChI Key: KSONICAHAPRCMV-UHFFFAOYSA-N Synonym: 5-bromo-1-indanone,5-bromoindanone,5-bromoindan-1-one,5-bromo-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-bromo-2,3-dihydro,1-indanone, 5-bromo,5-bromo-indanone,5-bromo indanone,zlchem 204,5-bromo-1-oxoindane PubChem CID: 520695 IUPAC Name: 5-bromo-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C=C(C=C2)Br
| PubChem CID | 520695 |
|---|---|
| CAS | 34598-49-7 |
| Molecular Weight (g/mol) | 211.058 |
| MDL Number | MFCD00082718 |
| SMILES | C1CC(=O)C2=C1C=C(C=C2)Br |
| Synonym | 5-bromo-1-indanone,5-bromoindanone,5-bromoindan-1-one,5-bromo-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-bromo-2,3-dihydro,1-indanone, 5-bromo,5-bromo-indanone,5-bromo indanone,zlchem 204,5-bromo-1-oxoindane |
| IUPAC Name | 5-bromo-2,3-dihydroinden-1-one |
| InChI Key | KSONICAHAPRCMV-UHFFFAOYSA-N |
| Molecular Formula | C9H7BrO |
6-Methoxy-1-indanone 98.0+%, TCI America™
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CAS: 13623-25-1 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00021232 InChI Key: UJGDLLGKMWVCPT-UHFFFAOYSA-N Synonym: 6-methoxy-1-indanone,6-methoxy-1h-indanone,6-methoxy-indan-1-one,6-methoxy-2,3-dihydro-1h-inden-1-one,6-methoxyindan-1-one,2,3-dihydro-6-methoxyinden-1-one,1h-inden-1-one, 2,3-dihydro-6-methoxy,6-methoxyindanone,6-methoxy indanone,6-methoxy-1-indanon PubChem CID: 334036 IUPAC Name: 6-methoxy-2,3-dihydro-1H-inden-1-one SMILES: COC1=CC=C2CCC(=O)C2=C1
| PubChem CID | 334036 |
|---|---|
| CAS | 13623-25-1 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00021232 |
| SMILES | COC1=CC=C2CCC(=O)C2=C1 |
| Synonym | 6-methoxy-1-indanone,6-methoxy-1h-indanone,6-methoxy-indan-1-one,6-methoxy-2,3-dihydro-1h-inden-1-one,6-methoxyindan-1-one,2,3-dihydro-6-methoxyinden-1-one,1h-inden-1-one, 2,3-dihydro-6-methoxy,6-methoxyindanone,6-methoxy indanone,6-methoxy-1-indanon |
| IUPAC Name | 6-methoxy-2,3-dihydro-1H-inden-1-one |
| InChI Key | UJGDLLGKMWVCPT-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
5-Chloro-1-indanone 97.0+%, TCI America™
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CAS: 42348-86-7 Molecular Formula: C9H7ClO Molecular Weight (g/mol): 166.60 MDL Number: MFCD00041456 InChI Key: MEDSHTHCZIOVPU-UHFFFAOYSA-N Synonym: 5-chloro-1-indanone,5-chloro-2,3-dihydro-1h-inden-1-one,5-chloroindan-1-one,5-chloro-indan-1-one,1h-inden-1-one, 5-chloro-2,3-dihydro,5-chloroindanone,5-chloroindone,pubchem2250,1-indanone, 5-chloro,5-chloro indanone PubChem CID: 142599 IUPAC Name: 5-chloro-2,3-dihydro-1H-inden-1-one SMILES: ClC1=CC=C2C(=O)CCC2=C1
| PubChem CID | 142599 |
|---|---|
| CAS | 42348-86-7 |
| Molecular Weight (g/mol) | 166.60 |
| MDL Number | MFCD00041456 |
| SMILES | ClC1=CC=C2C(=O)CCC2=C1 |
| Synonym | 5-chloro-1-indanone,5-chloro-2,3-dihydro-1h-inden-1-one,5-chloroindan-1-one,5-chloro-indan-1-one,1h-inden-1-one, 5-chloro-2,3-dihydro,5-chloroindanone,5-chloroindone,pubchem2250,1-indanone, 5-chloro,5-chloro indanone |
| IUPAC Name | 5-chloro-2,3-dihydro-1H-inden-1-one |
| InChI Key | MEDSHTHCZIOVPU-UHFFFAOYSA-N |
| Molecular Formula | C9H7ClO |
5-Fluoro-1-indanone 96.0+%, TCI America™
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CAS: 700-84-5 Molecular Formula: C9H7FO Molecular Weight (g/mol): 150.15 MDL Number: MFCD00041031 InChI Key: WVPPBVAMKNQXJA-UHFFFAOYSA-N Synonym: 5-fluoro-1-indanone,5-fluoro-2,3-dihydro-1h-inden-1-one,5-fluoroindan-1-one,1h-inden-1-one, 5-fluoro-2,3-dihydro,2,3-dihydro-5-fluoro-1h-inden-1-one,5-fluoroindanone,5-fluoro indanone,pubchem2388,5-flouro-1-indanone,pubchem13785 PubChem CID: 136537 IUPAC Name: 5-fluoro-2,3-dihydro-1H-inden-1-one SMILES: FC1=CC=C2C(=O)CCC2=C1
| PubChem CID | 136537 |
|---|---|
| CAS | 700-84-5 |
| Molecular Weight (g/mol) | 150.15 |
| MDL Number | MFCD00041031 |
| SMILES | FC1=CC=C2C(=O)CCC2=C1 |
| Synonym | 5-fluoro-1-indanone,5-fluoro-2,3-dihydro-1h-inden-1-one,5-fluoroindan-1-one,1h-inden-1-one, 5-fluoro-2,3-dihydro,2,3-dihydro-5-fluoro-1h-inden-1-one,5-fluoroindanone,5-fluoro indanone,pubchem2388,5-flouro-1-indanone,pubchem13785 |
| IUPAC Name | 5-fluoro-2,3-dihydro-1H-inden-1-one |
| InChI Key | WVPPBVAMKNQXJA-UHFFFAOYSA-N |
| Molecular Formula | C9H7FO |
Tetrakis(2,4-pentanedionato)titanium(IV) (ca. 63% in Isopropyl Alcohol), TCI America™
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CAS: 17501-79-0 Molecular Formula: C20H32O8Ti Molecular Weight (g/mol): 448.335 MDL Number: MFCD00045004 InChI Key: RYSXWUYLAWPLES-MTOQALJVSA-N Synonym: Acetylacetone Titanium(IV) Salt, Titanium(IV) Acetylacetonate PubChem CID: 44629996 IUPAC Name: (Z)-4-hydroxypent-3-en-2-one;titanium SMILES: CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Ti]
| PubChem CID | 44629996 |
|---|---|
| CAS | 17501-79-0 |
| Molecular Weight (g/mol) | 448.335 |
| MDL Number | MFCD00045004 |
| SMILES | CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Ti] |
| Synonym | Acetylacetone Titanium(IV) Salt, Titanium(IV) Acetylacetonate |
| IUPAC Name | (Z)-4-hydroxypent-3-en-2-one;titanium |
| InChI Key | RYSXWUYLAWPLES-MTOQALJVSA-N |
| Molecular Formula | C20H32O8Ti |
alpha-Ionone 90.0+%, TCI America™
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CAS: 127-41-3 Molecular Formula: C13H20O Molecular Weight (g/mol): 192.30 MDL Number: MFCD00001565 InChI Key: UZFLPKAIBPNNCA-BQYQJAHWNA-N Synonym: alpha-ionone,iraldeine,e-alpha-ionone,irisone,alpha-ionon,trans-alpha-ionone,alpha-e-ionone,alpha-ionone natural,beta-lonone,ionone, alpha PubChem CID: 5282108 ChEBI: CHEBI:32319 IUPAC Name: (3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one SMILES: CC(=O)\C=C\C1C(C)=CCCC1(C)C
| PubChem CID | 5282108 |
|---|---|
| CAS | 127-41-3 |
| Molecular Weight (g/mol) | 192.30 |
| ChEBI | CHEBI:32319 |
| MDL Number | MFCD00001565 |
| SMILES | CC(=O)\C=C\C1C(C)=CCCC1(C)C |
| Synonym | alpha-ionone,iraldeine,e-alpha-ionone,irisone,alpha-ionon,trans-alpha-ionone,alpha-e-ionone,alpha-ionone natural,beta-lonone,ionone, alpha |
| IUPAC Name | (3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one |
| InChI Key | UZFLPKAIBPNNCA-BQYQJAHWNA-N |
| Molecular Formula | C13H20O |
(4-Chlorobenzoyl)acetonitrile 98.0+%, TCI America™
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CAS: 4640-66-8 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.603 MDL Number: MFCD00051625 InChI Key: JYOUFPNYTOFCSJ-UHFFFAOYSA-N Synonym: 4-chlorobenzoylacetonitrile,3-4-chlorophenyl-3-oxopropanenitrile,4-chlorophenacylcyanide,p-chlorophenacyl cyanide,4-chlorobenzoyl acetonitrile,3-4-chloro-phenyl-3-oxo-propionitrile,4-chlorobenzoylacetonitirle,zlchem 1256,pubchem12045,acmc-1akag PubChem CID: 138308 IUPAC Name: 3-(4-chlorophenyl)-3-oxopropanenitrile SMILES: C1=CC(=CC=C1C(=O)CC#N)Cl
| PubChem CID | 138308 |
|---|---|
| CAS | 4640-66-8 |
| Molecular Weight (g/mol) | 179.603 |
| MDL Number | MFCD00051625 |
| SMILES | C1=CC(=CC=C1C(=O)CC#N)Cl |
| Synonym | 4-chlorobenzoylacetonitrile,3-4-chlorophenyl-3-oxopropanenitrile,4-chlorophenacylcyanide,p-chlorophenacyl cyanide,4-chlorobenzoyl acetonitrile,3-4-chloro-phenyl-3-oxo-propionitrile,4-chlorobenzoylacetonitirle,zlchem 1256,pubchem12045,acmc-1akag |
| IUPAC Name | 3-(4-chlorophenyl)-3-oxopropanenitrile |
| InChI Key | JYOUFPNYTOFCSJ-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO |
4-Acetylpyridine 98.0+%, TCI America™
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CAS: 1122-54-9 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006433 InChI Key: WMQUKDQWMMOHSA-UHFFFAOYSA-N Synonym: 4-acetylpyridine,methyl 4-pyridyl ketone,ethanone, 1-4-pyridinyl,ketone, methyl 4-pyridyl,1-pyridin-4-yl ethan-1-one,1-pyridin-4-yl ethanone,pyridine, 4-acetyl,4-acetyl pyridine,4-pyridyl methyl ketone,unii-g47437iow7 PubChem CID: 14282 IUPAC Name: 1-pyridin-4-ylethanone SMILES: CC(=O)C1=CC=NC=C1
| PubChem CID | 14282 |
|---|---|
| CAS | 1122-54-9 |
| Molecular Weight (g/mol) | 121.139 |
| MDL Number | MFCD00006433 |
| SMILES | CC(=O)C1=CC=NC=C1 |
| Synonym | 4-acetylpyridine,methyl 4-pyridyl ketone,ethanone, 1-4-pyridinyl,ketone, methyl 4-pyridyl,1-pyridin-4-yl ethan-1-one,1-pyridin-4-yl ethanone,pyridine, 4-acetyl,4-acetyl pyridine,4-pyridyl methyl ketone,unii-g47437iow7 |
| IUPAC Name | 1-pyridin-4-ylethanone |
| InChI Key | WMQUKDQWMMOHSA-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO |
2-Acetylpyrazine 99.0+%, TCI America™
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CAS: 22047-25-2 Molecular Formula: C6H6N2O Molecular Weight (g/mol): 122.127 MDL Number: MFCD00006134 InChI Key: DBZAKQWXICEWNW-UHFFFAOYSA-N Synonym: acetylpyrazine,2-acetylpyrazine,ethanone, 1-pyrazinyl,1-pyrazin-2-yl ethan-1-one,methyl pyrazinyl ketone,2-acetyl pyrazine,ketone, methyl pyrazinyl,1-pyrazinylethanone,1-pyrazin-2-yl-ethanone,1-pyrazin-2-yl ethanone PubChem CID: 30914 IUPAC Name: 1-pyrazin-2-ylethanone SMILES: CC(=O)C1=NC=CN=C1
| PubChem CID | 30914 |
|---|---|
| CAS | 22047-25-2 |
| Molecular Weight (g/mol) | 122.127 |
| MDL Number | MFCD00006134 |
| SMILES | CC(=O)C1=NC=CN=C1 |
| Synonym | acetylpyrazine,2-acetylpyrazine,ethanone, 1-pyrazinyl,1-pyrazin-2-yl ethan-1-one,methyl pyrazinyl ketone,2-acetyl pyrazine,ketone, methyl pyrazinyl,1-pyrazinylethanone,1-pyrazin-2-yl-ethanone,1-pyrazin-2-yl ethanone |
| IUPAC Name | 1-pyrazin-2-ylethanone |
| InChI Key | DBZAKQWXICEWNW-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O |
2-Acetylthiazole 98.0+%, TCI America™
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CAS: 24295-03-2 Molecular Formula: C5H5NOS Molecular Weight (g/mol): 127.161 MDL Number: MFCD00005324 InChI Key: MOMFXATYAINJML-UHFFFAOYSA-N Synonym: 2-acetylthiazole,1-1,3-thiazol-2-yl ethan-1-one,ethanone, 1-2-thiazolyl,1-1,3-thiazol-2-yl ethanone,2-acetyl thiazole,1-2-thiazolyl ethanone,ketone, methyl 2-thiazolyl,2-acetylthiazol,2-acetyl-1,3-thiazole,1-thiazol-2-yl-ethanone PubChem CID: 520108 IUPAC Name: 1-(1,3-thiazol-2-yl)ethanone SMILES: CC(=O)C1=NC=CS1
| PubChem CID | 520108 |
|---|---|
| CAS | 24295-03-2 |
| Molecular Weight (g/mol) | 127.161 |
| MDL Number | MFCD00005324 |
| SMILES | CC(=O)C1=NC=CS1 |
| Synonym | 2-acetylthiazole,1-1,3-thiazol-2-yl ethan-1-one,ethanone, 1-2-thiazolyl,1-1,3-thiazol-2-yl ethanone,2-acetyl thiazole,1-2-thiazolyl ethanone,ketone, methyl 2-thiazolyl,2-acetylthiazol,2-acetyl-1,3-thiazole,1-thiazol-2-yl-ethanone |
| IUPAC Name | 1-(1,3-thiazol-2-yl)ethanone |
| InChI Key | MOMFXATYAINJML-UHFFFAOYSA-N |
| Molecular Formula | C5H5NOS |
2',3',4',5',6'-Pentafluoroacetophenone 98.0+%, TCI America™
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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 IUPAC Name: 1-(2,3,4,5,6-pentafluorophenyl)ethan-1-one 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 |
| IUPAC Name | 1-(2,3,4,5,6-pentafluorophenyl)ethan-1-one |
| InChI Key | FBGHCYZBCMDEOX-UHFFFAOYSA-N |
| Molecular Formula | C8H3F5O |
2-Acetylpyridine 99.0+%, TCI America™
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CAS: 1122-62-9 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006303 InChI Key: AJKVQEKCUACUMD-UHFFFAOYSA-N Synonym: 2-acetylpyridine,1-pyridin-2-yl ethanone,methyl 2-pyridyl ketone,2-acetopyridine,2-pyridyl methyl ketone,acetylpyridine,ethanone, 1-2-pyridinyl,ketone, methyl 2-pyridyl,1-pyridin-2-yl ethan-1-one,1-2-pyridinyl ethanone PubChem CID: 14286 IUPAC Name: 1-pyridin-2-ylethanone SMILES: CC(=O)C1=CC=CC=N1
| PubChem CID | 14286 |
|---|---|
| CAS | 1122-62-9 |
| Molecular Weight (g/mol) | 121.139 |
| MDL Number | MFCD00006303 |
| SMILES | CC(=O)C1=CC=CC=N1 |
| Synonym | 2-acetylpyridine,1-pyridin-2-yl ethanone,methyl 2-pyridyl ketone,2-acetopyridine,2-pyridyl methyl ketone,acetylpyridine,ethanone, 1-2-pyridinyl,ketone, methyl 2-pyridyl,1-pyridin-2-yl ethan-1-one,1-2-pyridinyl ethanone |
| IUPAC Name | 1-pyridin-2-ylethanone |
| InChI Key | AJKVQEKCUACUMD-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO |