Chlorhexidine

Base Information

• Chemical Name: Chlorhexidine
• CAS No.: 3697-42-5
• Deprecated CAS: 111883-36-4,328933-19-3,1520991-69-8,328933-19-3
• Molecular Formula: C22H30Cl2N10^.2ClH
• Molecular Weight: 578.375
• Hs Code.: 29252900
• European Community (EC) Number: 200-238-7,223-026-6
• UNII: R4KO0DY52L
• DSSTox Substance ID: DTXSID2033314
• Wikipedia: Chlorhexidine
• NCI Thesaurus Code: C364
• RXCUI: 2358
• Pharos Ligand ID: 8Q7TDW6124W6
• Metabolomics Workbench ID: 43153
• ChEMBL ID: CHEMBL790
• Mol file: 3697-42-5.mol

Synonyms:Acetate, Chlorhexidine;Chlorhexidine;Chlorhexidine Acetate;Chlorhexidine Hydrochloride;Hydrochloride, Chlorhexidine;MK 412A;MK-412A;MK412A;Novalsan;Sebidin A;Tubulicid

Chemical Property of Chlorhexidine

Chemical Property:

• Appearance/Colour: white crystalline solid
• Vapor Pressure: 2.11E-19mmHg at 25°C
• Melting Point: 111-116 °C
• Boiling Point: 699.3 °C at 760 mmHg
• Flash Point: 376.7 °C
• PSA: 167.58000
• Density: 1.284[at 20℃]
• LogP: 7.88780
• Storage Temp.: 2-8°C
• Solubility.: Sparingly soluble in water and in propylene glycol, very slightly soluble in ethanol (96 per cent).
• Water Solubility.: 0.06 g/100 mL (20 ºC)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 504.2031964
• Heavy Atom Count: 34
• Complexity: 649

Purity/Quality:

98% Fine grade,90% Crude grade, ^*data from raw suppliers

Chlorhexidine Dihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 53-45-61-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Uses -> Biocides/Disinfectants
• Canonical SMILES: C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl
• Isomeric SMILES: C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl
• Recent ClinicalTrials: Decolonization to Reduce After-Surgery Events of Surgical Site Infection
• Recent EU Clinical Trials: Prospective Randomized Evaluation of Emerging Novel Treatments for Infection prophylaxis in Total Joint Replacement (PREVENT-iT): A Pilot Study
• Recent NIPH Clinical Trials: Efficacy of oranexidine gluconate in the prevention of catheter-related bloodstream infections
• Uses: antibacterial (topical), disinfectant chlorhexidine dihydrochloride is a preservative, it functions primarily as an anti-microbial, helping control the proliferation of bacteria, fungi, or yeast in a product. It is a bisbiguanide with bacteriostatic activity. Antiseptic; disinfectant

Technology Process of Chlorhexidine

There total 1 articles about Chlorhexidine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.3%

→ chlorhexidine dihydrochloride (3697-42-5,118897-03-3)

Guidance literature:

Reference yield:

chlorhexidine dihydrochloride (3697-42-5,118897-03-3) → 3-[(Z)-4-Chloro-phenylimino]-5-{(Z)-6-[5-[(Z)-4-chloro-phenylimino]-4,5-dihydro-[1,2,4]triazol-(3Z)-ylideneamino]-hexylimino}-4,5-dihydro-3H-[1,2,4]triazole

Guidance literature:

With potassium hydroxide; bromine; In methanol;

Refernces