Tri-n-butyl orthoformate

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:588-43-2

MDL number:MFCD00015250

EINECS number:209-618-7

RTECS number:None

BRN number:1752526

PubChem number:24886841

Physical property data

1. Physical property data

1. Boiling point (ºC,Normal pressure): 122-124 °C(lit.)

2. Density:0.872g/mL at 25 °C(lit.

3. Refractive index:n20/D 1.418(lit.)

4. Flash Point (ºC):89

Toxicological data

None

Ecological data

3. Ecological data:

1, other harmful effects: This substance may be harmful to the environment, special attention should be paid to water bodies.

Molecular structure data

Molecular property data:

1, Molar refractive index:67.47

2, Molar volume (m³/mol):262.5

3, Isotonic specific volume (90.2K ):605.7

4, Surface tension (dyne/ cm):28.3

5、 Polarizability (10^-24cm³): 26.74

Calculate chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.8

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 12

5. Number of tautomers: none

6. Topological molecule polar surface area 27.7

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 105

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

Stability and reactivity:

Materials to avoid: Oxides.

Products to be decomposed: carbon monoxide and carbon dioxide.

Storage method

Storage:

Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

None

Purpose

None