N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] dihydrochloride | CAS No. 3697-42-5

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

Basic Information

CAS Number

3697-42-5

Molecular Formula

C22H32Cl4N10

Molecular Weight

578.38 g/mol

AD

Basic Physical Properties

Melting Point

255-262ºC

Water Solubility

0.06G/100ML(20ºC)

N=C(NC(=N)Nc1ccc(cc1)Cl)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl.Cl

InChI

InChI=1S/C22H30Cl2N10.2ClH/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);2*1H

InChIKey

WJLVQTJZDCGNJN-UHFFFAOYSA-N

LogP

5.018880000000005

Topological Polar Surface Area

167.58 Ų

Hydrogen Bond Donor/Acceptor

10 / 10

Complexity

649

Safety Information

View Safety Information

GHS Hazard Pictograms

H315H315
H319H319
H335H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 9 Class 9

Synonyms & References

English

  • chlorhexidine dihydrochloride
  • Chlorhexidine Hydrochloride
  • (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine,dihydrochloride
  • Chlorhexidine (dihydrochloride)
  • 1,1’-Hexamethylenebis(5-[p-chlorophenyl]biguanide)
  • 1,1'-Hexamethylenebis[5-(4-chlorophenyl)biguanide] Dihydrochloride
  • 1,6-Bis(N5-[p-chlorophenyl]-N1-biguanido)hexane
  • L(-)-CaMphor
  • Hexamethylenebis(5-(p-chlorophenyl)biguanide) dihydrochloride
  • Hibitane chlorhexidine dihydrochloride
  • 1,1'-Hexamethylenebis(5-(p-chlorophenyl))-biguanide dihydrochlorid
  • Chlorhexidine HCl
  • Arlacide H
  • Caswell No. 481F
  • Chlorhexidinium dichloride
  • Chlorhexidine 2HCl
  • EPA Pesticide Chemical Code 481700
  • E64XL9U38K
  • C22H32Cl4N10
  • 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) dihydrochloride
  • Biguanide, 1,1'-hexamethylenebis(5-(p-chlo
  • Chlorhexidine dihydrochloride

MDL Number

MFCD00068998

FAQ

What is N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] dihydrochloride (CAS: 3697-42-5)?

N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] dihydrochloride is a complex organic compound with the CAS number 3697-42-5. It features a hexane diyl backbone with two imidodicarbonimidic diamide groups linked to 4-chlorophenyl rings, forming a dihydrochloride salt. This compound is known for its structural versatility and is used in specialized chemical applications.

What are the main uses of N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] dihydrochloride (CAS: 3697-42-5)?

The compound is primarily used in pharmaceutical research for drug development, as a coupling agent in organic synthesis, and in industrial processes requiring functionalized intermediates. Its unique structure also makes it relevant in chemical research for creating derivatives with specific biological or material properties. Applications may include pesticide formulation and polymer science, though it is not commonly used in food or consumer products.

Is N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] dihydrochloride (CAS: 3697-42-5) safe?

Safety precautions for this compound include avoiding direct skin or eye contact, ensuring proper ventilation, and using personal protective equipment (PPE) such as gloves and goggles. While it is not classified as highly toxic, its handling requires adherence to standard chemical safety protocols. Always follow OSHA guidelines and consult safety data sheets (SDS) for specific risk assessments.

How should N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] dihydrochloride (CAS: 3697-42-5) be stored?

Store this compound in a cool, dry place (ideally 2-8°C), away from light and moisture. Keep it in airtight, corrosion-resistant containers to maintain stability. Avoid exposure to heat or humidity, as these conditions may affect its chemical integrity. Always label containers clearly and store in a chemical storage cabinet for safety.

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