1-(6-Methylpyridin-2-yl)ethanon structure
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Common Name | 1-(6-Methylpyridin-2-yl)ethanon | ||
|---|---|---|---|---|
| CAS Number | 6940-57-4 | Molecular Weight | 135.163 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 208.9±20.0 °C at 760 mmHg | |
| Molecular Formula | C8H9NO | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 84.3±29.2 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-(6-methylpyridin-2-yl)ethanone |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 208.9±20.0 °C at 760 mmHg |
| Molecular Formula | C8H9NO |
| Molecular Weight | 135.163 |
| Flash Point | 84.3±29.2 °C |
| Exact Mass | 135.068420 |
| PSA | 29.96000 |
| LogP | 1.33 |
| Vapour Pressure | 0.2±0.4 mmHg at 25°C |
| Index of Refraction | 1.513 |
| InChIKey | FPQMUQPPAYCAME-UHFFFAOYSA-N |
| SMILES | CC(=O)c1cccc(C)n1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~92%
1-(6-Methylpyri... CAS#:6940-57-4 |
| Literature: Pfizer Inc Patent: US2004/176390 A1, 2004 ; |
|
~86%
1-(6-Methylpyri... CAS#:6940-57-4 |
| Literature: Reeves, Zoe R.; Mann, Karen L. V.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.; Barigelletti, Francesco; Armaroli, Nicola Journal of the Chemical Society - Dalton Transactions, 1999 , # 3 p. 349 - 355 |
|
~80%
1-(6-Methylpyri... CAS#:6940-57-4 |
| Literature: Nayab, Saira; Lee, Hyosun; Jeong, Jong Hwa Polyhedron, 2012 , vol. 43, # 1 p. 55 - 62 |
|
~%
1-(6-Methylpyri... CAS#:6940-57-4 |
| Literature: US2624740 , ; |
|
~93%
1-(6-Methylpyri... CAS#:6940-57-4 |
| Literature: PFIZER PRODUCTS INC. Patent: WO2004/26863 A1, 2004 ; Location in patent: Page 54 ; WO 2004/026863 A1 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 4 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933399090 |
|---|---|
| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
|
|
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-(6-Methylpyridin-2-yl)ethanon |
| 1-(6-methylpyridin-2-yl)ethanone |
| MFCD06658293 |
| 6-Acetyl-2-picoline |
| Ketone,methyl 6-methyl-2-pyridyl |
| 6-methyl-2-acetylpyridine |
| 1-(6-Methyl-2-pyridinyl)ethanone |
| 2-Acetyl-6-methylpyridine |
| Ketone, methyl 6-methyl-2-pyridyl |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 1-(6-methylpyridin-2-yl)ethanone? |
| A: Molecular weight of 1-(6-methylpyridin-2-yl)ethanone is 135.163. |
| Q: What is the SMILES notation of 1-(6-methylpyridin-2-yl)ethanone? |
| A: SMILES notation of 1-(6-methylpyridin-2-yl)ethanone is CC(=O)c1cccc(C)n1. |
| Q: What is the polar surface area (PSA) of 1-(6-methylpyridin-2-yl)ethanone? |
| A: Polar surface area (PSA) of 1-(6-methylpyridin-2-yl)ethanone is 29.96000. |
| Q: What is the safety information for 1-(6-methylpyridin-2-yl)ethanone? |
| A: Safety information for 1-(6-methylpyridin-2-yl)ethanone: 26-36. |
| Q: What is the molecular formula of 1-(6-methylpyridin-2-yl)ethanone? |
| A: Molecular formula of 1-(6-methylpyridin-2-yl)ethanone is C8H9NO. |
| Q: What are the upstream materials of 1-(6-methylpyridin-2-yl)ethanone? |
| A: Related upstream materials(CAS) of 1-(6-methylpyridin-2-yl)ethanone: 71777-66-7;79-37-8;5315-25-3;127-19-5;1620-75-3;917-54-4;1122-70-9. |
| Q: What is the LogP of 1-(6-methylpyridin-2-yl)ethanone? |
| A: LogP of 1-(6-methylpyridin-2-yl)ethanone is 1.33. |
| Q: What are the downstream products of 1-(6-methylpyridin-2-yl)ethanone? |
| A: Related downstream products(CAS) of 1-(6-methylpyridin-2-yl)ethanone: 58088-67-8;33777-92-3;108295-42-7;476472-48-7. |
| Q: What is the InChIKey of 1-(6-methylpyridin-2-yl)ethanone? |
| A: InChIKey of 1-(6-methylpyridin-2-yl)ethanone is FPQMUQPPAYCAME-UHFFFAOYSA-N. |
| Q: What is the English name of 1-(6-methylpyridin-2-yl)ethanone? |
| A: The English name of 1-(6-methylpyridin-2-yl)ethanone is 1-(6-methylpyridin-2-yl)ethanone. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |