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55-56-1

Basic Information
CAS No.: 55-56-1
Name: 2,4,11,13-Tetraazatetradecanediimidamide,N1,N14-bis(4-chlorophenyl)-3,12-diimino-
Molecular Structure:
Molecular Structure of 55-56-1 (2,4,11,13-Tetraazatetradecanediimidamide,N1,N14-bis(4-chlorophenyl)-3,12-diimino-)
Formula: C22H30Cl2N10
Molecular Weight: 505.45
Synonyms: 2,4,11,13-Tetraazatetradecanediimidamide,N,N''-bis(4-chlorophenyl)-3,12-diimino- (9CI);Biguanide,1,1'-hexamethylenebis[5-(p-chlorophenyl)- (6CI,7CI,8CI);1,1'-Hexamethylenebis[5-(p-chlorophenyl)biguanide];1,6-Di(N-p-chlorophenylbiguanidino)hexane;Chlorhexamed forte;Chlorohex;Consepsis;Eburos;Fimeil;Hexident;Periogard;Soretol;
EINECS: 200-238-7
Density: 1.39 g/cm3
Melting Point: 132-136 °C
Boiling Point: 699.3 °C at 760 mmHg
Flash Point: 376.7 °C
Solubility: 0.08 g/100 mL (20 °C) in water
Appearance: colorless crystals
Hazard Symbols: IrritantXi,DangerousN
Risk Codes: 36/37/38-43-51/53
Safety: 26-36/37-60-61
Transport Information: UN 3077 9/PG 3
PSA: 167.58000
LogP: 6.28380
Synthetic route
15894-70-9

1,6-bis(N3-cyano-N1-guanidino)hexane

20265-96-7

p-chloroaniline hydrochloride

55-56-1

chlorhexidine

Conditions
ConditionsYield
In 2-ethoxy-ethanol for 4.5h; Reflux;33%
1482-62-8

1-(4-chlorophenyl)-3-cyanoguanidine

6055-52-3

hexane-1,6-diamine dihydrochloride

55-56-1

chlorhexidine

56-95-1

chlorhexidine diacetate

55-56-1

chlorhexidine

Conditions
ConditionsYield
With potassium hydroxide In water at 50℃; pH=11;
6055-52-3

hexane-1,6-diamine dihydrochloride

55-56-1

chlorhexidine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: butan-1-ol / 8 h / Reflux
2: 2-ethoxy-ethanol / 4.5 h / Reflux
View Scheme
15894-70-9

1,6-bis(N3-cyano-N1-guanidino)hexane

106-47-8

4-chloro-aniline

55-56-1

chlorhexidine

Conditions
ConditionsYield
at 95℃; for 6h;
55-56-1

chlorhexidine

57-10-3

1-hexadecylcarboxylic acid

chlorhexidine tetrapalmitate

Conditions
ConditionsYield
In tetrahydrofuran for 0.333333h;98%

hydroxygallium naphthalocyaninetetrasulfonic acid

55-56-1

chlorhexidine

4C22H30Cl2N10*C48H25GaN8O13S4

Conditions
ConditionsYield
In methanol; water82%
423-39-2

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

55-56-1

chlorhexidine

N2,N2'-(hexan-1,6-diyl)bis(N4-(4-chlorophenyl)-6-(perfluoropropyl))-1,3,5-triazine-2,4-diamine

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 16h; Irradiation;53%
Stage #1: chlorhexidine With sodium hydroxide In N,N-dimethyl-formamide at 20℃; for 3h;
Stage #2: 1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane In N,N-dimethyl-formamide at 20℃; Irradiation;
43%
55-56-1

chlorhexidine

chlorhexidine dihydrate

Conditions
ConditionsYield
With sodium hydroxide Product distribution / selectivity;
106-91-2

2,3-Epoxypropyl methacrylate

55-56-1

chlorhexidine

A

chlorhexidine methacrylate homopolymer

chlorhexidine methacrylate homopolymer

B

chlorhexidine methacrylate dihydrochloride

Conditions
ConditionsYield
With triethylamine In dimethyl sulfoxide
55-56-1

chlorhexidine

silver nitrate

[Ag(III)(chlorhexidine)](OH)3

Conditions
ConditionsYield
With peroxodisulfate ion; sodium hydrogencarbonate elem. anal.;
55-56-1

chlorhexidine

106-47-8

4-chloro-aniline

Conditions
ConditionsYield
With (5,10,15,20-tetrakis(N-methyl-1-pyridinium-4-yl)porphyrinato)iron(III); dihydrogen peroxide In water at 20℃; for 24h; Mechanism; Catalytic behavior; Reagent/catalyst; pH-value;71 %Chromat.
55-56-1

chlorhexidine

silver nitrate

C22H30AgCl2N10(2+)*2HO(1-)*2H2O

Conditions
ConditionsYield
Stage #1: chlorhexidine; water; silver nitrate In dimethyl sulfoxide at 20℃;
Stage #2: With sodium persulfate In dimethyl sulfoxide
55-56-1

chlorhexidine

C22H30Cl2N10*H2O4S*3H2O

Conditions
ConditionsYield
With water; sodium sulfate In ethanol at 20℃; for 336h;
55-56-1

chlorhexidine

584-08-7

potassium carbonate

C22H30Cl2N10*CH2O3*4H2O

Conditions
ConditionsYield
With water In ethanol at 20℃; for 336h;
55-56-1

chlorhexidine

137-08-6

calcium (R)-pantothenate

chlorhexidine dipantothenate

Conditions
ConditionsYield
With sulfuric acid In methanol
112-38-9

10-undecenoic acid

55-56-1

chlorhexidine

chlorhexidine undecylinic acid

Conditions
ConditionsYield
at 40℃; for 4h;55 g
Downstream Products
106-47-8
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    55-56-1 2,4,11,13-Tetraazatetradecanediimidamide,N1,N14-bis(4-chlorophenyl)-3,12-diimino-

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  • chlorhexidine CAS NO.55-56-1

  • Casno:

    55-56-1

    MSDS/COA Download

    chlorhexidine CAS NO.55-56-1

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  • Casno:

    55-56-1

    Chlorhexidine

    Min.Order: 1 Gram

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  • CHLORHEXIDINE

  • Casno:

    55-56-1

    CHLORHEXIDINE

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Specification

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:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 44mg/kg (44mg/kg)   VM/SAC, Veterinary Medicine and Small Animal Clinician. Vol. 72, Pg. 1330, 1977.
mouse LD50 intravenous 24mg/kg (24mg/kg)   Journal of Clinical Periodontology. Vol. 4(5), Pg. 66, 1977.
mouse LD50 oral 2515mg/kg (2515mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA International Congress and Symposium Series - Royal Society of Medicine Services Limited. Vol. 23, Pg. 45, 1980.
mouse LD50 subcutaneous 632mg/kg (632mg/kg)   Journal of Clinical Periodontology. Vol. 4(5), Pg. 66, 1977.
rabbit LD intravenous > 8mg/kg (8mg/kg)   VM/SAC, Veterinary Medicine and Small Animal Clinician. Vol. 72, Pg. 1330, 1977.
rat LD50 intraperitoneal 60mg/kg (60mg/kg)   VM/SAC, Veterinary Medicine and Small Animal Clinician. Vol. 72, Pg. 1330, 1977.
rat LD50 intravenous 21mg/kg (21mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD International Congress and Symposium Series - Royal Society of Medicine Services Limited. Vol. 23, Pg. 45, 1980.
rat LD50 oral 9200uL/kg (9.2mL/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 6, Pg. 2599, 1978.
rat LD50 subcutaneous > 1gm/kg (1000mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS Journal of Clinical Periodontology. Vol. 4(5), Pg. 66, 1977.

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