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