tri-n-butylboron tri-n-butylboron

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:122-56-5

mdl number:mfcd00009423

einecs number:204-554-6

rtecs number:ed1850000

brn number:none

pubchem number:24857985

physical property data

1. density (g/ml ,25/4℃）： 0.834

2. flash point (°f):1

3. melting point (℃):-34

4. boiling point (ºc,20 mmhg): 109

toxicological data

1, acute toxicity: rat oral ld50: 1125mg/kg

rat intravenously injected ld50: 104mg/kg

ecological data

none yet

molecular structure data

1. molar refractive index: 61.07

2. molar volume（m³/ mol）：248.5

3. isotonic ratio（90.2k）：546.5

4. surface tension（dyne/cm）：23.3

5. dielectric constant:

6. dipole moment（10 ^-24cm³)(m³/mol）：248.5

3. isotonic ratio（90.2k）：546.5

4. surface tension（dyne/cm）：23.3

5. dielectric constant:

6. dipole moment（10 ^-24cm³)：

7. polarizability: 24.21

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. number of rotatable chemical bonds: 9

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 72.1

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

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

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7. polarizability: 24.21

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. number of rotatable chemical bonds: 9

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 72.1

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

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet