1-chloro-2-methylbutane
structural formula
| business number | 06h4 |
|---|---|
| molecular formula | c5h11cl |
| molecular weight | 106.59 |
| label |
c2h5ch(ch3)ch2cl |
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.
