Trimethoxyboroxine Trimethoxyboroxine

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:102-24-9

MDL number:MFCD00005946

EINECS number:203-016-8

RTECS number:ED8720000

BRN number:1709158

PubChem number:24900241

Physical property data

1. Properties: colorless liquid, easy to decompose.

2. Density (g/mL, 25℃): 1.195

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

4. Melting point (ºC): 10

5. Boiling point (ºC, normal pressure): 130

6. Boiling point (ºC, kPa): Undetermined

7. Refractive index: 1.4

8. Flash point (ºC): 10

9. Specific rotation (º): Undetermined

10 . Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, 25ºC): 30

12. Saturated vapor pressure (kPa, ºC): Not determined Determined

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

19. Solubility: Undetermined

Toxicological data

Acute toxicity: Rat oral LD50: 5160mg/kg;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 34.74

2. Molar volume (cm³/mol): 164.1

3. Isotonic specific volume (90.2K ): 344.8

4. Surface tension (dyne/cm): 19.4

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 13.77

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: 6

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 55.4

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 99.4

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. Uncertain number of chemical bond stereocenters: 0

15.�Number of price key units: 1

Properties and stability

Decomposes on contact with moisture. Avoid contact with strong oxidants and water.

Storage method

Store in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The storage temperature should not exceed 30℃. The packaging must be sealed and protected from moisture. They should be stored separately from oxidants, etc. and avoid mixed storage. 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 yet

Purpose

None yet