Chlorhexidine

The IUPAC name of Chlorhexidine is (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine. With the CAS registry number 55-56-1, it is also named as Bis(5-(p-chlorophenyl)biguanidinio)hexane. The product's classification codes are Anti-Infective Agents; Anti-Infective Agents, Local; Cosmetics; Disinfectants; Mouthwashes; Mutation Data; Reproductive Effect; Skin / Eye Irritant. Besides, it is colorless crystals, which should be sealed with argon. In addition, its molecular formula is C₂₂H₃₀Cl₂N₁₀ and molecular weight is 505.45.

The other characteristics of this product can be summarized as: (1)EINECS: 200-238-7; (2)ACD/LogP: 4.93; (3)# of Rule of 5 Violations: 3; (4)ACD/LogD (pH 5.5): 1.93; (5)ACD/LogD (pH 7.4): 1.93; (6)ACD/BCF (pH 5.5): 3.29; (7)ACD/BCF (pH 7.4): 3.3; (8)ACD/KOC (pH 5.5): 11.46; (9)ACD/KOC (pH 7.4): 11.47; (10)#H bond acceptors: 10; (11)#H bond donors: 10; (12)#Freely Rotating Bonds: 11; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 134.02 cm³; (15)Molar Volume: 363.3 cm³; (16)Surface Tension: 57.1 dyne/cm; (17)Density: 1.39 g/cm³; (18)Flash Point: 376.7 °C; (19)Melting Point: 132-136 °C; (20)Water solubility: 0.08 g/100 mL (20 °C); (21)Enthalpy of Vaporization: 102.37 kJ/mol; (22)Boiling Point: 699.3 °C at 760 mmHg; (23)Vapour Pressure: 2.11E-19 mmHg at 25 °C.

Uses of Chlorhexidine: this chemical is a chemical antiseptic. And it is used as a preservative in oral rinses and skin cleansers. Additionally, it is often used in mouthwash designed as an active ingredient to reduce dental plaque and oral bacteria. It can also be used as a topical disinfectant of wounds in animals.

When you are using this chemical, please be cautious about it as the following: it irritates to eyes, respiratory system and skin. It also may cause sensitization by skin contact. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing and gloves. Moreover, it is toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste. Please avoid release to the environment, and refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc2ccc(NC(=N/C(=N/CCCCCC/N=C(/N=C(N)Nc1ccc(Cl)cc1)N)N)N)cc2
(2)InChI: InChI=1/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
(3)InChIKey: GHXZTYHSJHQHIJ-UHFFFAOYAU

The toxicity data is as follows: