Dibutyl phosphate Di-n-butyl phosphate

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:107-66-4

MDL number:MFCD00015245

EINECS number:203-509-8

RTECS number:TB9605000

BRN number:607224

PubChem number:24861550

Physical property data

1. Properties: colorless to light yellow viscous liquid.

2. Density (g/mL, 20/4℃): 1.060

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): -13

5. Boiling point (ºC, normal pressure): 250

6. Boiling point (ºC, kPa): Undetermined

p>

7. Refractive index (20ºC): 1.428

8. Flash point (ºC): 157

9. Specific rotation (ºC): Undetermined

7. p>

10. Autoignition point or ignition temperature (ºC): 420

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) distribution coefficient: Undetermined

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

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

19. Solubility: Soluble in ether, carbon tetrachloride and various organic Solvent.

Toxicological data

Toxic if taken orally.

Ecological data

Generally speaking, it is not harmful to water bodies.

Molecular structure data

1. Molar refractive index: 51.01

2. Molar volume (cm³/mol): 194.9

3. Isotonic specific volume (90.2K ): 478.6

4. Surface tension (dyne/cm): 36.3

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 20.22

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 1.5

2. Number of hydrogen bond donors: 1

3.  Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 8

5. Number of tautomers:

6. Topology Molecular polar surface area (TPSA): 55.8

7, Number of heavy atoms: 13

8, Surface charge: 0

9, Complexity: 146

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

p>

13. The number of determined stereocenters of chemical bonds: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. The number of covalent bond units: 1

Properties and stability

Avoid contact with strong oxidants, alkalis, and reactive metals. When using, avoid inhaling the vapor of this product and avoid contact with eyes and skin.

Storage method

Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. 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

Used as solvent, extraction agent for uranium and thorium, and gas chromatography stationary liquid.