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