Structural formula

Business number	0187
Molecular formula	C22H30Cl2N10·2C2H4O2
Molecular weight	625.6
label	1,6-Bis(N5-[p-chlorophenyl]-N1-biguanido)hexane, 1,1′-Hexamethylenebis(5-[p-chlorophenyl]biguanide), Chlorhexidine acetate, Chlorhexidine acetate

• 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: Undetermined

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): Undetermined

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

14. Critical temperature (ºC): Undetermined

15. Critical Pressure (KPa): Undetermined

16. Oil and water (octanol /Water) partition coefficient pair Value: Undetermined

17. Explosion upper limit (%,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

Compute 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.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

Disinfectants. 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.

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