4-fluoro-4-methylcyclohexa-2,5-dien-1-one
4-fluoro-4-methylcyclohexa-2,5-dien-1-one structure
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Common Name | 4-fluoro-4-methylcyclohexa-2,5-dien-1-one | ||
|---|---|---|---|---|
| CAS Number | 77249-33-3 | Molecular Weight | 126.12800 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C7H7FO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-fluoro-4-methylcyclohexa-2,5-dien-1-one |
|---|---|
| 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.
| Molecular Formula | C7H7FO |
|---|---|
| Molecular Weight | 126.12800 |
| Exact Mass | 126.04800 |
| PSA | 17.07000 |
| LogP | 1.40970 |
| InChIKey | UELYMTQACMUFOY-UHFFFAOYSA-N |
| SMILES | CC1(F)C=CC(=O)C=C1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
4-fluoro-4-meth... CAS#:77249-33-3 |
| Literature: Stavber, Stojan; Planinsek, Zdenka; Kosir, Iztok; Zupan, Marko Journal of Fluorine Chemistry, 1992 , vol. 59, # 3 p. 409 - 412 |
|
~42%
4-fluoro-4-meth... CAS#:77249-33-3 |
| Literature: Misaki, Susumu Journal of Fluorine Chemistry, 1981 , vol. 17, p. 159 - 172 |
|
~35%
4-fluoro-4-meth... CAS#:77249-33-3 |
| Literature: Shell Oil Company Patent: US4663487 A1, 1987 ; |
|
~51%
4-fluoro-4-meth... CAS#:77249-33-3 |
| Literature: Stavber, Stojan; Jereb, Marjan; Zupan, Marko Synlett, 1999 , # 9 p. 1375 - 1378 |
|
~69%
4-fluoro-4-meth... CAS#:77249-33-3 |
| Literature: Karam, Omar; Martin-Mingot, Agnes; Jouannetaud, Marie-Paule; Jacquesy, Jean-Claude; Cousson, Alain Tetrahedron, 2004 , vol. 60, # 31 p. 6629 - 6638 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-fluoro-4-methylcyclohexa-2,5-dienone |
| 4-Fluor-4-methylcyclohexadienon |
| 4-fluoro-4-methylcyclohexadienone |
| 2,5-Cyclohexadien-1-one,4-fluoro-4-methyl |
| 4-fluoro-4-methyl-2,5-cyclohexadienone |
| 4-fluoro-4-methyl-2,5-cyclohexadien-1-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 4-fluoro-4-methylcyclohexa-2,5-dien-1-one? |
| A: SMILES notation of 4-fluoro-4-methylcyclohexa-2,5-dien-1-one is CC1(F)C=CC(=O)C=C1. |
| Q: What is the CAS number of 4-fluoro-4-methylcyclohexa-2,5-dien-1-one? |
| A: CAS number of 4-fluoro-4-methylcyclohexa-2,5-dien-1-one is 77249-33-3. |
| Q: What is the molecular formula of 4-fluoro-4-methylcyclohexa-2,5-dien-1-one? |
| A: Molecular formula of 4-fluoro-4-methylcyclohexa-2,5-dien-1-one is C7H7FO. |
| Q: What is the Chinese name of 77249-33-3? |
| A: Chinese name of 77249-33-3 is 77249-33-3. |
| Q: What is the polar surface area (PSA) of 4-fluoro-4-methylcyclohexa-2,5-dien-1-one? |
| A: Polar surface area (PSA) of 4-fluoro-4-methylcyclohexa-2,5-dien-1-one is 17.07000. |
| Q: What are the upstream materials of 4-fluoro-4-methylcyclohexa-2,5-dien-1-one? |
| A: Related upstream materials(CAS) of 4-fluoro-4-methylcyclohexa-2,5-dien-1-one: 104-93-8;106-44-5;1309-60-0. |
| Q: What is the LogP of 4-fluoro-4-methylcyclohexa-2,5-dien-1-one? |
| A: LogP of 4-fluoro-4-methylcyclohexa-2,5-dien-1-one is 1.40970. |
| Q: What is the English name of 4-fluoro-4-methylcyclohexa-2,5-dien-1-one? |
| A: The English name of 4-fluoro-4-methylcyclohexa-2,5-dien-1-one is 4-fluoro-4-methylcyclohexa-2,5-dien-1-one. |
| Q: What is the InChIKey of 4-fluoro-4-methylcyclohexa-2,5-dien-1-one? |
| A: InChIKey of 4-fluoro-4-methylcyclohexa-2,5-dien-1-one is UELYMTQACMUFOY-UHFFFAOYSA-N. |
| Q: What English synonyms does 4-fluoro-4-methylcyclohexa-2,5-dien-1-one have? |
| A: English synonyms of 4-fluoro-4-methylcyclohexa-2,5-dien-1-one: 4-fluoro-4-methylcyclohexa-2,5-dienone, 4-Fluor-4-methylcyclohexadienon, 4-fluoro-4-methylcyclohexadienone, 2,5-Cyclohexadien-1-one,4-fluoro-4-methyl, 4-fluoro-4-methyl-2,5-cyclohexadienone, 4-fluoro-4-methyl-2,5-cyclohexadien-1-one. |