1,3-Dibromobutane 1,3-Dibromobutane

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:107-80-2

MDL number:MFCD00000152

EINECS number:203-520-8

RTECS number:None

BRN number:1731231

PubChem number:24849619

Physical property data

1. Properties: colorless and transparent liquid.

2. Density (g/mL, 25℃): 1.8

3. Relative density (20℃, 4℃): 1.7903

4. Relative Density (25℃, 4℃): 1.7824

5. Boiling point (ºC, normal pressure): 174

6. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -147.8

7. Refractive index (_D²⁰): 1.5080

8. Flash point (ºC): 173-176

9. Refractive index at room temperature (n²⁰): 1.5085

10. Refractive index at room temperature (n ²⁵): 1.5061

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa) : Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

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18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

None

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 36.00

2. Molar volume (cm³/mol): 121.3

3. Isotonic specific volume (90.2K ): 292.9

4. Surface tension (dyne/cm): 34.0

5. Polarizability (10-24cm3): 14.27

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: 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

SexQuality and Stability

Avoid contact with strong oxidizing agents.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None

Purpose

Organic synthesis intermediates.