2-bromovaleric acid ethyl ester

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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