2-Bromovaleric acid ethyl ester
Structural formula
| Business number | 06GS |
|---|---|
| Molecular formula | C7H13BrO2 |
| Molecular weight | 209.08 |
| label |
CH3CH2CH2CH(Br)CO2C2H5 |
Numbering system
CAS number:615-83-8
MDL number:MFCD00000159
EINECS number:210-450-1
RTECS number:None
BRN number:1098901
PubChem number:24894413
Physical property data
1. Physical property data
1. Boiling point (ºC,Normal pressure):190-192°C
Toxicological data
None yet
Ecological data
3. Ecological data:
1, other harmful effects: This substance may be harmful to the environment, special attention should be paid to water bodies.
Molecular structure data
1. Physical property data
1. Boiling point (ºC,Normal pressure):60-65 °C0.1 mm Hg(lit.)
Compute chemical data
4. Calculated chemical data:
1. Hydrophobic parameter calculation reference value (XlogP ): 2.6
2. Number of hydrogen bond donors:0
3. Number of hydrogen bond acceptors:2
4. Rotatable Number of chemical bonds: 5
5. Topological molecule polar surface area (TPSA ): 26.3
6. Number of heavy atoms:10
7. Surface charge: 0
8. Complexity:104
9. Isotope atoms Quantity: 0
10. Determine the number of atomic stereocenters:0
11. Not sure Number of atomic stereocenters:1
12. Determine chemical bonds Number of stereocenters:0
13. Not sure Number of stereocenters of chemical bonds:0
14. Covalent Number of key units:1
Properties and stability
Properties and stability:
No decomposition products may occur under normal temperatures and pressures.
Storage method
Storage:
Seal the secret container and store it in a sealed main container in a cool place Dry position.
Synthesis method
None yet
Purpose
None yet
