pentypyridinium tartrate

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:52-62-0

mdl number:mfcd00135580

einecs number:200-146-7

rtecs number:uy4900000

brn number:none

pubchem number:24852870

physical property data

1. characteristics: colorless to slightly yellow liquid.

2. density ( g/ml,25/4℃)：1.507

3. relative vapor density (g/ml,air=1): undetermined

4. melting point ( ºc):328-329

5. boiling point ( ºc,normal pressure): undetermined

6. boiling point ( ºc,5.2kpa）：169℃（756mmhg)

7. refractive index ：1.5310

8.  flash point (ºc): 73

9. specific optical activity degree (º): undetermined

10. spontaneous ignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc）：1.68mpa

12. saturated steam pressure (kpa,60ºc): undetermined

13. burning heat (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water ( octanol/log value of water) partition coefficient: undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: soluble in water.

toxicological data

1, acute toxicity: rat oral ld50: 890mg/kg; rat abdominal cavity ld50: 28900ug/kg; rat intravenous ld50: 50760ug/kg; mouse oral ld50: 512mg/kg;
mouse abdominal ld50: 36 mg/kg; mouse subcutaneous ldlo: 94mg/kg; mouse intravenous ld50: 29 mg/kg; dog intravenous ld50: 10 mg/kg

ecological data

none yet

molecular structure data

none yet

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp):

2. number of hydrogen bond donors: 6

3. number of hydrogen bond acceptors: 12

4. number of rotatable chemical bonds: 10

5. number of tautomers:

6. topological molecular polar surface area (tpsa):236

7. number of heavy atoms: 37

8. surface charge: 0

9. complexity: 347

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. the number of uncertain atomic stereocenters: 4

13. determine the number of stereocenters of chemical bonds: 0

14. uncertain number of chemical bond stereocenters: 0

15. number of covalent bond units: 3

properties and stability

none yet

storage method

this product should be sealed and stored away from light.

synthesis method

none yet

purpose

medicine. pesticide. intermediates for liquid crystal materials.

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