1-chloro-2-methylbutane

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:616-13-7

mdl number:mfcd00039366

einecs number:210-466-9

rtecs number:none

brn number:none

pubchem number:24870895

physical property data

physical property data: 1. properties: liquid

2. density (g/ml, 25/4℃): 0.8802

3. refractive index (nd20): 1.4125

4. flash point (℃): 0

5. boiling point (ºc): 100.4℃

6. specific rotation (º, c=1 , dioxane): +1.7°

7. relative density (20℃, 4℃): 0.8852

8. refractive index at room temperature (n²⁵) : 1.4101

9. the gas phase standard claims heat (enthalpy) (kj·mol^-1): -159.4

10. the liquid phase standard claims heat ( enthalpy) (kj·mol^-1): -191.1

toxicological data

none yet

ecological data

3. ecological data:

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

molecular structure data

5. molecular property data:

1. molar refractive index: 30.02

2. molar volume (cm³/mol): 122.8

3. isotonic specific volume (90.2k): 266.9

4. surface tension (dyne/cm): 22.2

5. polarizability (10^-24cm³): 11.90

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.5

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: 27.1

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

properties and stability:

the product may not decompose under normal temperature and pressure.

storage method

storage:

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

synthesis methodlaw

1. introduction to the production method

prepared by the action of l-active pentanol and phosphorus pentachloride.

purpose

2. uses

organic synthesis raw materials and solvents.