chlorhexidine diacetate mpb chlorhexidine diacetate

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:56-95-1

mdl number:mfcd00012532

einecs number:200-302-4

rtecs number:du1930000

brn number:none

pubchem number:24892838

physical property data

1. characteristics: white crystal sex powder.

2. density (g/ml,25/4℃) ： undetermined

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

4. melting point (ºc): 260-262℃ decomposition

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

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: not ok

8. flashpoint (ºc): undetermined

9. specific optical rotation ( º): undetermined

10. spontaneous ignition point or ignition combustion temperature (ºc): not ok

11. vapor pressure (kpa,25ºc): undetermined

12. saturated vapor pressure ( kpa,60ºc%,v/v): undetermined

18. lower explosion limit (%,v/v): not ok

19.solubility:20℃the solubility in water is1.9g/100ml, soluble in ethanol.

toxicological data

1, skin or eye irritation: rabbit, skin contact , standard draize test test, 500mg/24h
2, acute toxicity:; mouse oral ld50: 2mg/kg; mouse abdominal cavity ld50: 38mg/kg; mouse subcutaneous ld50: 325mg/kg; mouse intravenous ld50: 25mg/kg

ecological data

none yet

molecular structure data

none yet

calculate chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 8

3. number of hydrogen bond acceptors: 6

4. number of rotatable chemical bonds: 13

5. number of tautomers: 36

6. topological molecular polar surface area 252

7. number of heavy atoms: 42

8. surface charge: 0

9. complexity: 680

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: 2

14. number of uncertain 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 in a dry and dark place.

synthesis method

it is prepared from p-chloroaniline through diazotization, condensation, elimination of denitrification, condensation, and neutralization to form a salt.

purpose

disinfectant. it has a strong bactericidal effect on gram-positive bacteria, negative bacteria and fungi, and is also effective on pseudomonas aeruginosa. used for skin disinfection, wound irrigation, and surgical instrument disinfection.

the number of uncertain atomic stereocenters: 0

13. the number of determined chemical bond stereocenters: 2

14. the 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 in a dry and dark place.

synthesis method

it is prepared from p-chloroaniline through diazotization, condensation, elimination of denitrification, condensation, and neutralization to form a salt.

purpose

disinfectant. it has a strong bactericidal effect on gram-positive bacteria, negative bacteria and fungi, and is also effective on pseudomonas aeruginosa. used for skin disinfection, wound irrigation, and surgical instrument disinfection.