2-Bromobutyric acid methyl ester
Catalog No: FT-0611545
CAS No: 3196-15-4
- Chemical Name: 2-Bromobutyric acid methyl ester
- Molecular Formula: C5H9BrO2
- Molecular Weight: 181.03
- InChI Key: UFQQDNMQADCHGH-UHFFFAOYSA-N
- InChI: InChI=1S/C5H9BrO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H3
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Bolling_Point: | 171.0±0.0 °C at 760 mmHg |
|---|---|
| CAS: | 3196-15-4 |
| MF: | C5H9BrO2 |
| Melting_Point: | N/A |
| Symbol: | Danger |
| Density: | 1.4±0.1 g/cm3 |
| FW: | 181.028 |
| Product_Name: | Methyl 2-bromobutyrate |
| Flash_Point: | 68.3±0.0 °C |
| Bolling_Point: | 171.0±0.0 °C at 760 mmHg |
|---|---|
| LogP: | 1.72 |
| More_Info: | ['1 . Appearance Colourless 透明Liquid ', '2 . Density（g/mL,25/4℃）1573 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '5 . Boiling point（ºC,Atmospheric pressure）137-138/50mmHg ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index1451-1453 ', '8 . Flash point（ºC）68 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用'] |
| Computational_Chemistry: | ['1. XlogP :18 ', '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 :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :825 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Vapor_Pressure: | 1.4±0.3 mmHg at 25°C |
| Exact_Mass: | 179.978592 |
| MF: | C5H9BrO2 |
| Density: | 1.4±0.1 g/cm3 |
| Refractive_Index: | 1.454 |
| PSA: | 26.30000 |
| Flash_Point: | 68.3±0.0 °C |
| Molecular_Structure: | ['1 . Molar refractive index 3467 ', '2 . Molar volume （m3/mol）1281 ', '3 . Parachor （902K）3053 ', '4 . Surface tension 322 ', '5 . Polarizability 1374'] |
| FW: | 181.028 |
| Safety_Statements: | H225-H315 |
|---|---|
| RIDADR: | UN 3265 8/PG 3 |
| WGK_Germany: | 3 |
| Hazard_Codes: | C:Corrosive |
| HS_Code: | 2915600000 |
| Risk_Statements(EU): | R34 |
| Symbol: | Danger |
| Personal_Protective_Equipment: | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US) |
| Hazard_Class: | 8 |
| Packing_Group: | III |
| Warning_Statement: | P210 |
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