tri-n-octylphosphine oxide tri-n-octylphosphine oxide

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:78-50-2

mdl number:mfcd00002083

einecs number:201-121-3

rtecs number:sz1662500

brn number:1796648

pubchem number:24853374

physical property data

1. appearance: white odorless crystalline powder

2. density (g/ml, 20℃) 0.88

3. relative vapor density (g/ml, air =1): undetermined

4. melting point (ºc): 52-57

5. boiling point (ºc, normal pressure): undetermined

6 . boiling point (ºc, 0.3mmhg): 212-213

7. refractive index (n20/d): undetermined

8. flash point (ºc): 252

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (mmhg, 40ºc): undetermined

12. saturated vapor pressure (kpa, 39ºc): 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

18. explosion lower limit (%, v/v): undetermined

19. solubility: insoluble in water

toxicological data

1. skin/eye irritation

standard draize test: rabbit, skin contact: 500μl/24h, severity of reaction: moderate.

standard draize test: rabbit, eye contact: 100mg/24h, severity of reaction: severe.

2. acute toxicity: rat oral ld50: >10mg/kg; rabbit skin contact ld50: 2830mg/kg.

生�academic data

not harmful to water.

molecular structure data

1. molar refractive index: 120.11

2. molar volume (cm³/mol): 448.8

3. isotonic specific volume (90.2k ): 1059.0

4. surface tension (dyne/cm): 30.9

5. polarizability (10-24cm³): 47.61 p>

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 9.6

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 21

5. number of tautomers: none

6. topological molecule polar surface area 17.1

7. number of heavy atoms: 26

8. surface charge: 0

9. complexity: 266

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

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

reacts with strong oxidants.

storage method

store airtight in a cool, dry place.

synthesis method

none yet

purpose

organic solvents. extracting agent. ​​