Methyl 4-(bromoethynyl)benzoate
Methyl 4-(bromoethynyl)benzoate structure
|
Common Name | Methyl 4-(bromoethynyl)benzoate | ||
|---|---|---|---|---|
| CAS Number | 225928-10-9 | Molecular Weight | 239.065 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 303.5±44.0 °C at 760 mmHg | |
| Molecular Formula | C10H7BrO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 137.3±28.4 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 4-(2-bromoethynyl)benzoate |
|---|---|
| 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 | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 303.5±44.0 °C at 760 mmHg |
| Molecular Formula | C10H7BrO2 |
| Molecular Weight | 239.065 |
| Flash Point | 137.3±28.4 °C |
| Exact Mass | 237.962936 |
| PSA | 26.30000 |
| LogP | 4.27 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.595 |
| InChIKey | LVAXOQWVIMIKSJ-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccc(C#CBr)cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~88%
Methyl 4-(bromo... CAS#:225928-10-9 |
| Literature: ACHAOGEN, INC.; PATTERSON, Brian, D.; LU, Qing; AGGEN, James, Bradley; DOZZO, Paola; KASAR, Ramesh, Annasaheb; LINSELL, Martin, Sheringham; KANE, Timothy, Robert; GLIEDT, Micah, James; HILDEBRANDT, Darin, James; MCENROE, Glenn, A.; COHEN, Frederick Patent: WO2013/170030 A1, 2013 ; Location in patent: Page/Page column 35 ; |
|
~42%
Methyl 4-(bromo... CAS#:225928-10-9 |
| Literature: Shen, Wang; Kohn, Todd; Fu, Zice; Jiao, XianYun; Lai, Sujen; Schmitt, Michael Tetrahedron Letters, 2008 , vol. 49, # 51 p. 7284 - 7286 |
|
~%
Methyl 4-(bromo... CAS#:225928-10-9 |
| Literature: ACHAOGEN, INC.; PATTERSON, Brian, D.; LU, Qing; AGGEN, James, Bradley; DOZZO, Paola; KASAR, Ramesh, Annasaheb; LINSELL, Martin, Sheringham; KANE, Timothy, Robert; GLIEDT, Micah, James; HILDEBRANDT, Darin, James; MCENROE, Glenn, A.; COHEN, Frederick Patent: WO2013/170030 A1, 2013 ; |
|
~%
Methyl 4-(bromo... CAS#:225928-10-9 |
| Literature: ACHAOGEN, INC.; PATTERSON, Brian, D.; LU, Qing; AGGEN, James, Bradley; DOZZO, Paola; KASAR, Ramesh, Annasaheb; LINSELL, Martin, Sheringham; KANE, Timothy, Robert; GLIEDT, Micah, James; HILDEBRANDT, Darin, James; MCENROE, Glenn, A.; COHEN, Frederick Patent: WO2013/170030 A1, 2013 ; |
|
~%
Methyl 4-(bromo... CAS#:225928-10-9 |
| Literature: Kley, Christopher S.; Cechal, Jan; Kumagai, Takashi; Schramm, Frank; Ruben, Mario; Stepanow, Sebastian; Kern, Klaus Journal of the American Chemical Society, 2012 , vol. 134, # 14 p. 6072 - 6075 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| s01-0612 |
| Methyl 4-(bromoethynyl)benzoate |
| Benzoic acid, 4-(2-bromoethynyl)-, methyl ester |
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 methyl 4-(2-bromoethynyl)benzoate? |
| A: SMILES notation of methyl 4-(2-bromoethynyl)benzoate is COC(=O)c1ccc(C#CBr)cc1. |
| Q: What is the CAS number of methyl 4-(2-bromoethynyl)benzoate? |
| A: CAS number of methyl 4-(2-bromoethynyl)benzoate is 225928-10-9. |
| Q: What are the upstream materials of methyl 4-(2-bromoethynyl)benzoate? |
| A: Related upstream materials(CAS) of methyl 4-(2-bromoethynyl)benzoate: 3034-86-4;253684-21-8;75867-41-3;619-42-1;619-44-3. |
| Q: What is the English name of methyl 4-(2-bromoethynyl)benzoate? |
| A: The English name of methyl 4-(2-bromoethynyl)benzoate is methyl 4-(2-bromoethynyl)benzoate. |
| Q: What is the LogP of methyl 4-(2-bromoethynyl)benzoate? |
| A: LogP of methyl 4-(2-bromoethynyl)benzoate is 4.27. |
| Q: What is the molecular formula of methyl 4-(2-bromoethynyl)benzoate? |
| A: Molecular formula of methyl 4-(2-bromoethynyl)benzoate is C10H7BrO2. |
| Q: What English synonyms does methyl 4-(2-bromoethynyl)benzoate have? |
| A: English synonyms of methyl 4-(2-bromoethynyl)benzoate: s01-0612, Methyl 4-(bromoethynyl)benzoate, Benzoic acid, 4-(2-bromoethynyl)-, methyl ester. |
| Q: What is the InChIKey of methyl 4-(2-bromoethynyl)benzoate? |
| A: InChIKey of methyl 4-(2-bromoethynyl)benzoate is LVAXOQWVIMIKSJ-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of methyl 4-(2-bromoethynyl)benzoate? |
| A: Polar surface area (PSA) of methyl 4-(2-bromoethynyl)benzoate is 26.30000. |
| Q: What is the molecular weight of methyl 4-(2-bromoethynyl)benzoate? |
| A: Molecular weight of methyl 4-(2-bromoethynyl)benzoate is 239.065. |
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. |