N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] acetate hydrate (1:2:1) | CAS No. 206986-79-0

N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] acetate hydrate (1:2:1)

Basic Information

CAS Number

206986-79-0

Molecular Formula

C26H40Cl2N10O5

Molecular Weight

643.58 g/mol

AD

Basic Physical Properties

Melting Point

153-157 ºC

Boiling Point

699.3ºC at 760 mmHg

Flash Point

376.7ºC

CC(=O)O.CC(=O)O.C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl

InChI

InChI=1S/C22H30Cl2N10.2C2H4O2.H2O/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);1H2

InChIKey

JGFZDLOXFRFUTG-UHFFFAOYSA-N

LogP

3.5323800000000016

Topological Polar Surface Area

273.67999999999995 Ų

Hydrogen Bond Donor/Acceptor

14 / 15

Complexity

680

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

  • 56-95-1
  • Chlorhexidine diacetate
  • BCP13778
  • CHLORHEXIDINE DIACATATE
  • 5-PHENYL-2,4-PYRROLIDINEDICARBOXYLICACID
  • MFCD00012532
  • Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water
  • Bactigras
  • NS00078947
  • 206986-79-0
  • Chlorhexidine Acetate,(S)
  • BCP18752
  • FT-0686552
  • WDRFFJWBUDTUCA-UHFFFAOYSA-N
  • Acetate, Chlorhexidine;MK 412A;MK412A;MK-412A;Sebidin A
  • Q27261630
  • Chlorhexidine acetate
  • Hibitane diacetate
  • SY036251
  • Hibitane diacetate; MK 412A;MK-412A;MK412A;Sebidin A
  • Chlorhexidine diacetate hydrate
  • Chlorhexidine di(acetate)
  • 1,6-Bis(N5-[p-chlorophenyl]-N1-biguanido)hexane
  • Chlorhexidine di acetate
  • CHLORHEXIDINE ACETATE
  • Chlorhexidine diacetate、
  • CHLORHEXIDINE DIACETATE HYDRATE,98
  • 2-[N'-[6-[[Amino-[[amino-[(4-chlorophenyl)amino]methylidene]amino]methylidene]amino]hexyl]carbamimidoyl]-1-(4-chlorophenyl)guanidine diacetate
  • 1,1′-Hexamethylenebis(5-[p-chlorophenyl]biguanide)
  • 1,6-Bis(N5-[p-chlorophenyl]-N1-biguanido)hexane; 1,1′-Hexamethylenebis(5-[p-chlorophenyl]biguanide)
  • Chlorhexidine acetate hydrate

MDL Number

MFCD00150042

Customs Code

2942000000

FAQ

What regulatory guidelines apply to N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] acetate hydrate (CAS: 206986-79-0)?

This compound (CAS: 206986-79-0) must comply with GHS classification, which includes specific health and environmental hazards. For manufacturing and import/export, it must adhere to REACH regulations, ensuring compliance with chemical safety requirements. In the U.S., FDA and EPA regulations also apply, addressing safety in pharmaceutical and environmental contexts.

Are there alternatives to N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] acetate hydrate (CAS: 206986-79-0) in synthesis?

There are several alternatives that can be used in synthesis, including isomers and analogs of the compound. Common alternatives include other chlorophenyl derivatives or different imidodicarbonimidic diamides that can serve similar functional roles in the reaction pathway.

What is the market or research trend for N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] acetate hydrate (CAS: 206986-79-0)?

Market trends indicate increasing research in specialty chemical applications, particularly in pharmaceutical and agrochemical sectors. The compound is being explored for its potential in targeted drug delivery systems and pesticidal formulations. Prices vary, but research is expected to drive demand in emerging applications.

How should waste containing N,N''''-1,6-Hexanediylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)] acetate hydrate (CAS: 206986-79-0) be handled?

Waste containing this compound should be collected in appropriate containers and stored separately to prevent contamination. For disposal, it is recommended to use professional waste disposal services that specialize in hazardous materials. Incineration under controlled conditions is a common method, ensuring the waste is handled safely to minimize environmental impact.

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