Methyl 2-fluoro-4-methylbenzoate
Methyl 2-fluoro-4-methylbenzoate structure
|
Common Name | Methyl 2-fluoro-4-methylbenzoate | ||
|---|---|---|---|---|
| CAS Number | 74733-29-2 | Molecular Weight | 168.16500 | |
| Density | 1.138g/cm3 | Boiling Point | 226.825ºC at 760 mmHg | |
| Molecular Formula | C9H9FO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 88.537ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Methyl 2-fluoro-4-methylbenzoate |
|---|---|
| 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 | 1.138g/cm3 |
|---|---|
| Boiling Point | 226.825ºC at 760 mmHg |
| Molecular Formula | C9H9FO2 |
| Molecular Weight | 168.16500 |
| Flash Point | 88.537ºC |
| Exact Mass | 168.05900 |
| PSA | 26.30000 |
| LogP | 1.92070 |
| Index of Refraction | 1.491 |
| InChIKey | LLOLLEPUQXDZSG-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccc(C)cc1F |
| Storage condition | 2-8°C |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~10%
Methyl 2-fluoro... CAS#:74733-29-2 |
| Literature: PFIZER INC.; CAMERON, Kimberly O'Keefe; KRAUSS, Achim Hans-Peter; LEFKER, Bruce Allen; NAIR, Sajiv Krishnan; PRASANNA, Ganesh; RUI, Eugene Yuanjin Patent: WO2010/116270 A1, 2010 ; Location in patent: Page/Page column 55 ; WO 2010/116270 A1 |
|
~79%
Methyl 2-fluoro... CAS#:74733-29-2 |
| Literature: Wang, Min; Davis, Toni; Gao, Mingzhang; Zheng, Qi-Huang Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 7 p. 1742 - 1747 |
|
~%
Methyl 2-fluoro... CAS#:74733-29-2 |
| Literature: Yea, Christopher M.; Allan, Christine E.; Ashworth, Doreen M.; Barnett, James; Baxter, Andy J.; Broadbridge, Janice D.; Franklin, Richard J.; Hampton, Sally L.; Hudson, Peter; Horton, John A.; Jenkins, Paul D.; Penson, Andy M.; Pitt, Gary R. W.; Riviere, Pierre; Robson, Peter A.; Rooker, David P.; Semple, Graeme; Sheppard, Andy; Haigh, Robert M.; Roe, Michael B. Journal of Medicinal Chemistry, 2008 , vol. 51, # 24 p. 8124 - 8134 |
|
~75%
Methyl 2-fluoro... CAS#:74733-29-2 |
| Literature: Ashworth, Doreen; Pitt, Gary R W; Hudson, Peter; Yea, Christopher; Franklin, Richard J; Semple, Graeme; Jenkins, David Paul Patent: US2004/38962 A1, 2004 ; |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-fluoro-4-methylbenzoic acid methyl ester |
| methyl-2-fluoro-4-methylbenzoate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of Methyl 2-fluoro-4-methylbenzoate? |
| A: Molecular formula of Methyl 2-fluoro-4-methylbenzoate is C9H9FO2. |
| Q: What is the molecular weight of Methyl 2-fluoro-4-methylbenzoate? |
| A: Molecular weight of Methyl 2-fluoro-4-methylbenzoate is 168.16500. |
| Q: What is the LogP of Methyl 2-fluoro-4-methylbenzoate? |
| A: LogP of Methyl 2-fluoro-4-methylbenzoate is 1.92070. |
| Q: What are the storage conditions for Methyl 2-fluoro-4-methylbenzoate? |
| A: Storage conditions for Methyl 2-fluoro-4-methylbenzoate: 2-8°C. |
| Q: What is the SMILES notation of Methyl 2-fluoro-4-methylbenzoate? |
| A: SMILES notation of Methyl 2-fluoro-4-methylbenzoate is COC(=O)c1ccc(C)cc1F. |
| Q: What is the English name of Methyl 2-fluoro-4-methylbenzoate? |
| A: The English name of Methyl 2-fluoro-4-methylbenzoate is Methyl 2-fluoro-4-methylbenzoate. |
| Q: What is the polar surface area (PSA) of Methyl 2-fluoro-4-methylbenzoate? |
| A: Polar surface area (PSA) of Methyl 2-fluoro-4-methylbenzoate is 26.30000. |
| Q: What is the CAS number of Methyl 2-fluoro-4-methylbenzoate? |
| A: CAS number of Methyl 2-fluoro-4-methylbenzoate is 74733-29-2. |
| Q: What is the boiling point of Methyl 2-fluoro-4-methylbenzoate? |
| A: Boiling point of Methyl 2-fluoro-4-methylbenzoate is 226.825ºC at 760 mmHg. |
| Q: What is the InChIKey of Methyl 2-fluoro-4-methylbenzoate? |
| A: InChIKey of Methyl 2-fluoro-4-methylbenzoate is LLOLLEPUQXDZSG-UHFFFAOYSA-N. |
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. |