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