N,N'-(cyclohexane-1,4-diyl)bis(2-(4-chlorophenoxy)acetamide) | CAS No. 548470-11-7

N,N'-(cyclohexane-1,4-diyl)bis(2-(4-chlorophenoxy)acetamide)

Basic Information

CAS Number

548470-11-7

Molecular Formula

C22H24Cl2N2O4

Molecular Weight

451.35 g/mol

AD

Basic Physical Properties

Boiling Point

719.0±60.0°C at 760 mmHg

Density

1.33±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (1.1E-3 g/L) (25 ºC),

O=C(NC1CCC(NC(COC2=CC=C(Cl)C=C2)=O)CC1)COC3=CC=C(Cl)C=C3

InChI

InChI=1S/C22H24Cl2N2O4/c23-15-1-9-19(10-2-15)29-13-21(27)25-17-5-7-18(8-6-17)26-22(28)14-30-20-11-3-16(24)4-12-20/h1-4,9-12,17-18H,5-8,13-14H2,(H,25,27)(H,26,28)

InChIKey

HJGMCDHQPXTGAV-UHFFFAOYSA-N

LogP

3.9948000000000032

Topological Polar Surface Area

76.66000000000001 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

493

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

Synonyms & References

English

  • ISRIB
  • 2-(4-chlorophenoxy)-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]acetamide
  • N,N'-((1R,4R)-CYCLOHEXANE-1,4-DIYL)BIS(2-(4-CHLOROPHENOXY)ACETAMIDE)
  • trans-ISRIB
  • ISRIB (trans-isomer)
  • ISRIB trans-isomer
  • N,N'-(cis-Cyclohexane-1,4-diyl)bis(2-(4-chlorophenoxy)acetamide)
  • N,N'-trans-1,4-cyclohexanediylbis[2-(4-chlorophenoxy)acetamide]
  • 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide
  • 2-(4-chlorophenoxy)-N-(4-{[(4-chlorophenoxy)acetyl]amino}cyclohexyl)acetamide
  • isrib-trans-isomer
  • C7B
  • Oprea1

MDL Number

MFCD27952932

FAQ

What regulatory guidelines apply to N,N'-(cyclohexane-1,4-diyl)bis(2-(4-chlorophenoxy)acetamide) (CAS: 548470-11-7)?

N,N'-(cyclohexane-1,4-diyl)bis(2-(4-chlorophenoxy)acetamide) (CAS: 548470-11-7) is regulated under the GHS (Globally Harmonized System of Classification and Labelling of Chemicals) for its hazardous properties. It also falls under the scope of REACH regulations in the European Union, requiring manufacturers and importers to register substances above a certain tonnage threshold. FDA and EPA have specific requirements for the handling, storage, and disposal of this compound due to its chemical structure and potential health and environmental impacts.

Are there alternatives to N,N'-(cyclohexane-1,4-diyl)bis(2-(4-chlorophenoxy)acetamide) (CAS: 548470-11-7) in synthesis?

Yes, there are alternative reagents that can be used in the synthesis of similar compounds. For instance, 2-(4-chlorophenoxy)acetic acid or its derivatives can serve as starting materials. Additionally, using different alcohols or amine derivatives can yield structurally similar bis-esters. These alternatives can offer different functional groups that may be more suitable for specific applications or have different regulatory profiles.

What is the market or research trend for N,N'-(cyclohexane-1,4-diyl)bis(2-(4-chlorophenoxy)acetamide) (CAS: 548470-11-7)?

The market for N,N'-(cyclohexane-1,4-diyl)bis(2-(4-chlorophenoxy)acetamide) (CAS: 548470-11-7) is driven by its use in specialized chemical applications, particularly in agriculture and pharmaceuticals. Research trends are focusing on its potential as an herbicide or pesticidal agent. However, due to its chemical structure and environmental concerns, there is growing interest in developing more environmentally friendly alternatives. The trend also includes investigating its biological activity and exploring its use in new formulations.

How should waste containing N,N'-(cyclohexane-1,4-diyl)bis(2-(4-chlorophenoxy)acetamide) (CAS: 548470-11-7) be handled?

Waste containing N,N'-(cyclohexane-1,4-diyl)bis(2-(4-chlorophenoxy)acetamide) (CAS: 548470-11-7) should be collected in appropriate containers and labeled for hazardous waste. It should be stored separately to prevent contamination and degradation. Proper disposal methods include incineration in accordance with local regulations or professional waste disposal services. Environmental protection measures include ensuring the waste does not enter water systems and proper通风 and exhaust measures during handling to avoid inhalation risks. Compliance with local and international environmental laws is essential.

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