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.