Methyl 4-(bromomethyl)benzoate
Catalog No: FT-0616713
CAS No: 2417-72-3
- Molecular Formula: 229.07
- Formula Weight: C9H9BrO2
- Inchl Key: NLWBJPPMPLPZIE-UHFFFAOYSA-N
- Inchl: InChI=1S/C9H9BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Bolling_Point: | 309.7±0.0 °C at 760 mmHg |
|---|---|
| CAS: | 2417-72-3 |
| MF: | C9H9BrO2 |
| Melting_Point: | 57-58 °C(lit.) |
| Symbol: | Danger |
| Density: | 1.5±0.1 g/cm3 |
| FW: | 229.071 |
| Product_Name: | Methyl 4-(bromomethyl)benzoate |
| Flash_Point: | 127.8±22.6 °C |
| Bolling_Point: | 309.7±0.0 °C at 760 mmHg |
|---|---|
| LogP: | 2.90 |
| More_Info: | ['1 . Appearance White 晶体状粉末 ', '2 . Density（g/mL, ,20℃）147 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）45-48 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC 2mmHg）130-135 ', '7 . Refractive index（nD20）Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（,）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,20ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow'] |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :151 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Melting_Point: | 57-58 °C(lit.) |
| Vapor_Pressure: | 0.0±0.6 mmHg at 25°C |
| Exact_Mass: | 227.978592 |
| MF: | C9H9BrO2 |
| Density: | 1.5±0.1 g/cm3 |
| Refractive_Index: | 1.560 |
| PSA: | 26.30000 |
| Flash_Point: | 127.8±22.6 °C |
| Molecular_Structure: | ['1 . Molar refractive index 5067 ', '2 . Molar volume （m3/mol）1568 ', '3 . Parachor （902K）4010 ', '4 . Surface tension 427 ', '5 . Polarizability （10 -24cm 3）2008'] |
| FW: | 229.071 |
| Safety_Statements: | H301-H314-H334 |
|---|---|
| RIDADR: | UN 3261 8/PG 2 |
| WGK_Germany: | 3 |
| Hazard_Codes: | C:Corrosive; |
| HS_Code: | 2916399090 |
| Risk_Statements(EU): | R34 |
| Symbol: | Danger |
| Personal_Protective_Equipment: | Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard_Class: | 8 |
| Packing_Group: | III |
| Warning_Statement: | P261-P280-P301 + P310-P305 + P351 + P338-P310 |
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