N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)]

Basic Information

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CAS Number

55-56-1

Molecular Formula

C22H30Cl2N10

Molecular Weight

505.46 g/mol

Basic Physical Properties

Melting Point

134-136 °C

Boiling Point

641.45°C (rough estimate)

Water Solubility

0.08 g/100 mL (20 ºC)

Flash Point

376.7°C

Solubility

water: soluble0.08% at 20°C

Refractive Index

1.6300 (estimate)

Vapor Pressure

0.0±1.7 mmHg at 25°C

SMILES

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Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1

InChI

InChI=1S/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)

InChIKey

GHXZTYHSJHQHIJ-UHFFFAOYSA-N

LogP

4.175280000000002

Topological Polar Surface Area

167.58 Å²

Hydrogen Bond Donor/Acceptor

10 / 10

Complexity

649

Safety Information

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GHS Hazard Pictograms

H315

H319

H334

H335

H410

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

chlorhexidine
Chlorhexidine Base
5,5-bis(4-chlorophenyl)-1,1-hexamethylenedibiguanide
(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
1,1'-Hexamethylenebis[5-(4-chlorophenyl)biguanide]
Chlorhexidin
Chlorhexidinum
chlorohexidine
Clorhexidina
Hexadol
Hibiclens
Peridex
Rotersept
Sterilon
Tubulicid
Bis(5-(p-chlorophenyl)biguanidinio)hexane
Hexamethylenebis(5-(4-chlorophenyl)biguanide)
N,N'-Bis(4-chlorophenyl)-3,12-diimino-tetraazatetradecanediimidamide
Fimeil
Soretol
Cloresidina
Nolvasan
Cloresidina [DCIT]
Chlorhexidin [Czech]
Chlorhexidinum [INN-Latin]
Clorhexidina [INN-Spanish]
Sterido
Hibistat
Savlon babycare
Chlorhexidine [INN:BAN]
1,6-Bis(p-chlorophenyldiguanido)hexane

MDL Number

MFCD00009673

FAQ

What is N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] (CAS: 55-56-1)?

N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] (CAS: 55-56-1) is a synthetic organic compound characterized by a hexane-1,6-diyl bridge connecting two N'-(4-chlorophenyl) imidodicarbonimidic diamide groups. It is a solid with low solubility in water and is commonly used in chemical research and industrial applications. The compound's structure includes chlorophenyl substituents and imidazole rings, making it relevant in pharmaceutical and agrochemical contexts.

What are the main uses of N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] (CAS: 55-56-1)?

This compound is primarily used in pharmaceutical research as an intermediate for drug development, particularly in creating compounds with antifungal or insecticidal properties. It also finds applications in agrochemical formulations, organic synthesis, and material science. Its unique structure makes it valuable for studying chemical reactivity and as a building block for functionalized molecules in various industries.

Is N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] (CAS: 55-56-1) safe?

Safety of N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] (CAS: 55-56-1) depends on handling conditions. It is not classified as highly toxic, but standard chemical safety precautions are recommended, such as wearing gloves, goggles, and a lab coat. Inhalation, ingestion, or skin contact should be avoided. Always follow OSHA and EPA guidelines for proper use and disposal to ensure safety in laboratory and industrial settings.

How should N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] (CAS: 55-56-1) be stored?

Store N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] (CAS: 55-56-1) in a sealed, airtight container in a cool, dry, and dark location to maintain stability. Avoid exposure to moisture, heat, and direct light. Keep it away from incompatible substances and ensure proper labeling. Storage conditions should be controlled to prevent degradation, as it may be sensitive to environmental factors.