Ding Fuming

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:692-13-7

MDL number:None

EINECS number:211-726-4

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character:.

2. Density (g/mL,25/4℃):

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

4. Melting point (ºC):

5. Boiling point (ºC,Normal pressure):

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

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

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC): undetermined

13. Heat of combustion ( KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of partition coefficient (water): undetermined

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

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

19. Solubility:.

Toxicological data

1, acute toxicity: Mouse (oral) LD50: 300 mg/kg
Mouse (peritoneal) LD50: 140 mg/kg
Guinea pig (subcutaneous)LD50： 18 mg/kg
Since the LD50 of table salt is 3,000 mg/kg, BPA is The degree of acute toxicity is the same as that of table salt.

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 41.86

2. Molar volume(m³/mol）：127.9

3. isotonic ratio(90.2K）：339.4

4. Surface Tension（dyne/cm)：49.5

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability: 16.59

Compute chemical data

1. Reference value for calculation of hydrophobic parameters (XlogP): -0.6

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 1

p>

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: 5

6. Topological molecule polar surface area 103

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 156

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

hypoglycemic drugs.