1,2-dichlorobutane

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:616-21-7

mdl number:mfcd00013676

einecs number:210-469-5

rtecs number:none

brn number:1731376

pubchem number:24846699

physical property data

1. boiling point (ºc, normal pressure): 124.0°c0.1 mm hg(lit.)

2. density: 1.112 g/ml at 25 °c(lit.

3. refractive index:n20/d 1.445(lit.)

4. flash point (ºc): 80 °f

5 . relative density (20℃, 4℃): 1.1171

6. relative density (25℃, 4℃): 1.1116

7. refractive index at room temperature (n²⁰ ): 1.4450

8. refractive index at room temperature (n²⁵): 1.4425

toxicological data

none yet

ecological data

other harmful effects: this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

1. molar refractive index: 30.23

2. molar volume (cm³/mol): 117.7

3. isotonic specific volume (90.2k ): 265.5

4. surface tension (dyne/cm): 25.9

5. polarizability (10^-24cm³): 11.98

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.4

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 6

8. surface charge: 0

9. complexity: 28.7

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

the product may not decompose under normal temperature and pressure.

storage method

seal the secret container and store it in a sealed main container in a cool, dry place.

synthesis method

none yet

purpose

none yet