CAS No.56-95-1,Chlorhexidine Diacetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	56-95-1
Name:	Chlorhexidine Diacetate

Formula:	C₂₂H₃₀Cl₂N₁₀^.2C₂H₄O₂
Molecular Weight:	625.558
Synonyms:	Biguanide,1,1'-hexamethylenebis[5-(p-chlorophenyl)-, diacetate (6CI,7CI,8CI);1,6-Bis(p-chlorophenylbiguanido)hexane diacetate;Arlacide A;Bactigras;Chlorasept 2000;Chlorhexidine diacetate;Chlorzoin;Dosisepsine;EC 40;EC 40 (antibacterial);Hibitane diacetate;Chlorhexidine diacetate;NSC 526936;
EINECS:	200-302-4
Melting Point:	153-156oC
Boiling Point:	699.3 °C at 760 mmHg
Flash Point:	376.7 °C
Solubility:	soluble in ethanol
Appearance:	A white or almost white microcrystalline powder
Hazard Symbols:	Xn,Xi
Risk Codes:	22-43-36/37/38
Safety:	36/37-26
PSA:	204.88000
LogP:	6.37470

Synthetic route

: 56-95-1
chlorhexidine diacetate

: 69-52-3, 15497-42-4, 54579-43-0, 132437-57-1
ampicillin sodium salt

: chlorhexidine diampicillin

Conditions

Conditions	Yield
In water; butan-1-ol at 20℃; for 48h;	98%

: 56-95-1
chlorhexidine diacetate

: 4800-94-6, 27025-51-0, 32420-30-7, 36912-57-9, 83059-64-7, 83113-57-9
carbenicillin disodium salt

: chlorhexidine carbenicillin

Conditions

Conditions	Yield
In water; butan-1-ol at 20℃; for 48h;	93%

: 56-95-1
chlorhexidine diacetate

: 1173-88-2
Bristopen

: chlorhexidine dioxacillin

Conditions

Conditions	Yield
In water; butan-1-ol at 20℃; for 48h;	85%

: 56-95-1
chlorhexidine diacetate

: 58-71-9
sodium cephalothin

: chlorhexidine dicephalothin

Conditions

Conditions	Yield
In water; butan-1-ol at 20℃; for 48h;	83%

: 56-95-1
chlorhexidine diacetate

: chlorhexidine dihydrate

Conditions

Conditions	Yield
With potassium hydroxide In water at 50℃; pH=11; Product distribution / selectivity;

: 56-95-1
chlorhexidine diacetate

: 55-56-1
chlorhexidine

Conditions

Conditions	Yield
With potassium hydroxide In water at 50℃; pH=11;

: copper(II) choride dihydrate

: 64-17-5
ethanol

: 56-95-1
chlorhexidine diacetate

: C22H30Cl6Cu2N10*2C2H6O

Conditions

Conditions	Yield
at 34.84 - 39.84℃; for 3h;

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Specification

The Chlorhexidine acetate, with the CAS registry number 56-95-1, is also known as 1,6-Bis(N5-[p-chlorophenyl]-N1-biguanido)hexane. It belongs to the product category of Organics. Its EINECS number is 200-302-4. This chemical's molecular formula is C₂₂H₃₀Cl₂N₁₀^.2C₂H₄O₂ and molecular weight is 625.55. What's more, its systematic name is 2,2'-(1,6-Hexanediyl)bis(1-{(E)-amino[(4-chlorophenyl)amino]methylene}guanidine) acetate (1:2). Its classification codes are: (1)Drug / Therapeutic Agent; (2)Skin / Eye Irritant. This chemcial is a disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from light.

Physical properties of Chlorhexidine acetate are: (1)ACD/LogP: 4.931; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 3.29; (6)ACD/BCF (pH 7.4): 3.30; (7)ACD/KOC (pH 5.5): 11.46; (8)ACD/KOC (pH 7.4): 11.47; (9)#H bond acceptors: 10; (10)#H bond donors: 10; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 68.88 Å²; (13)Flash Point: 376.7 °C; (14)Enthalpy of Vaporization: 102.37 kJ/mol; (15)Boiling Point: 699.3 °C at 760 mmHg; (16)Vapour Pressure: 2.11E-19 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. It may cause sensitisation by skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(N/C(=N/C(=N/CCCCCC/N=C(/N=C(\N)Nc1ccc(Cl)cc1)N)N)N)cc2.O=C(O)C.O=C(O)C
(2)Std. InChI: InChI=1S/C22H30Cl2N10.2C2H4O2/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;2*1-2(3)4/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H3,(H,3,4)
(3)Std. InChIKey: WDRFFJWBUDTUCA-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	38mg/kg (38mg/kg)	British Journal of Pharmacology and Chemotherapy. Vol. 9, Pg. 192, 1954.
mouse	LD50	intravenous	25mg/kg (25mg/kg)	British Journal of Pharmacology and Chemotherapy. Vol. 9, Pg. 192, 1954.
mouse	LD50	oral	2gm/kg (2000mg/kg)	British Journal of Pharmacology and Chemotherapy. Vol. 9, Pg. 192, 1954.
mouse	LD50	subcutaneous	325mg/kg (325mg/kg)	British Journal of Pharmacology and Chemotherapy. Vol. 9, Pg. 192, 1954.