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

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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.