chlorhexidine chlorhexidine
structural formula
| business number | 016x |
|---|---|
| molecular formula | c22h30cl2n10 |
| molecular weight | 505.45 |
| label |
1,1′-hexylbis[5-(p-chlorophenyl)biguanide], 1,1′-hexamethylenebis[5-(4-chlorophenyl)biguanide], chlorhexidine, disinfectant, preservative |
numbering system
cas number:55-56-1
mdl number:mfcd00009673
einecs number:200-238-7
rtecs number:du1925000
brn number:2826432
pubchem number:24854905
physical property data
1. properties: colorless crystals. sensitive to carbon dioxide.
2. density (g/ml, 25/4℃): undetermined
3. relative vapor density (g/ml, air=1): undetermined
4. melting point (ºc): 134
5. boiling point (ºc, normal pressure): undetermined
6. boiling point (ºc, 5.2kpa): undetermined
7. refractive index: undetermined
8. flash point (ºc): undetermined
9. specific 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. 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: dissolved in water (20°c): 0.08% , strongly alkaline.
toxicological data
1. skin or eye irritation: human, skin contact, standard draize test, 1500ug/3d
2. acute toxicity: rat oral ld50: 9200ul/kg; rat abdominal ld50: 60mg/kg ; rat subcutaneous ld50: >1mg/kg; mouse intravenous lc50: 21mg/kg; mouse oral lc50: 2515 mg/kg; mouse intraperitoneal lc50: 44mg/kg; mouse subcutaneous lc50: 632mg/kg; small rat intravenous lc50: 24 mg/kg; rabbit intravenous ld: >8mg/kg3. other multiple dose toxicity: rat oral tdlo: 150ul/kg/30d-i4, reproductive toxicity: male mouse oral tclo: 1680mg/kg , 7 days before mating 5. mutagenicity: mutation microorganismstest system: bacteria – salmonella typhimurium: 14300pmol/plate
ecological data
none
molecular structure data
1, molar refractive index: 134.02
2, molar volume (cm3/mol): 363.3
3, isotonic specific volume (90.2k): 999.1
4. surface tension (dyne/cm): 57.1
5. polarizability (10-24cm3) ：53.13
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 6
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 13
5. number of tautomers: 36
6. topological molecular polar surface area 178
7. number of heavy atoms: 34
8. surface charge: 0
9. complexity: 649
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: 1
properties and stability
none
storage method
this product should be stored sealed with argon gas.
synthesis method
none
purpose
antiseptics, disinfectants. medical external antibacterial agents.
