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(2,6-dibromo-4-cyano-phenyl) octanoate

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Identification
Molecular formula
C15H13Br2NO2
CAS number
356783-16-1
IUPAC name
(2,6-dibromo-4-cyano-phenyl) octanoate
State
State
This compound is typically in a solid state at room temperature, displaying a crystalline structure.
Melting point (Celsius)
139.70
Melting point (Kelvin)
412.70
Boiling point (Celsius)
375.70
Boiling point (Kelvin)
648.90
General information
Molecular weight
426.08g/mol
Molar mass
426.1410g/mol
Density
1.4725g/cm3
Appearence

(2,6-dibromo-4-cyano-phenyl) octanoate typically appears as a white to off-white crystalline solid. Its appearance can vary slightly depending on purity and specific form, but it is generally a powder or crystallized substance.

Comment on solubility

Solubility of (2,6-dibromo-4-cyano-phenyl) octanoate

The solubility of (2,6-dibromo-4-cyano-phenyl) octanoate can vary significantly based on several factors, including temperature, pH, and the presence of solvent types. Here are some key points to consider:

  • Polar vs. Nonpolar Solvents: As this compound contains significant hydrophobic octanoate segments, it is more likely to dissolve in nonpolar solvents.
  • Temperature Dependency: Typically, as temperature increases, the solubility of organic compounds, such as (2,6-dibromo-4-cyano-phenyl) octanoate, will also increase.
  • Acidity Levels: The presence of the cyano group can affect solubility in different pH environments, where acidic conditions may lead to protonation, possibly increasing solubility.

In general, one might observe that:

  1. In organic solvents, it demonstrates better solubility.
  2. In aqueous solutions, it is likely to be poorly soluble due to its hydrophobic characteristics.

Overall, the solubility behavior of (2,6-dibromo-4-cyano-phenyl) octanoate is a fascinating subject that highlights the intricate balance between molecular structure and solvation dynamics. Understanding these properties can enhance both research and application in various chemical contexts.

Interesting facts

Interesting Facts about (2,6-dibromo-4-cyano-phenyl) octanoate

(2,6-dibromo-4-cyano-phenyl) octanoate is a fascinating compound that belongs to a class of chemicals known as esters. Its unique structure and functional groups impart several noteworthy properties and applications.

Chemical Structure

  • Diverse functionalities: This compound features both bromine and cyano groups, which are known for their ability to enhance reactivity and provide unique chemical behavior.
  • Presence of octanoate: The octanoate portion contributes to the compound's role in various reactions, especially in esterification processes.

Applications

This compound is of particular interest in the realm of chemical research and industry due to its potential uses:

  • Pharmaceuticals: Derivatives of similar structures are often explored for their efficacy as drug candidates.
  • Material science: The presence of bromine may impart flame-retardant properties, making it useful in developing new materials.
  • Agricultural chemistry: Compounds like this are evaluated for their functionality as agrochemicals or as intermediates in pesticide synthesis.

Reactivity and Safety

While it has many promising applications, working with (2,6-dibromo-4-cyano-phenyl) octanoate requires careful handling due to:

  • Toxicity considerations: The bromine and cyano groups can pose health risks, necessitating proper safety protocols during handling and experimentation.
  • Environmental impact: As with many synthetic compounds, assessing the biodegradability and environmental fate is crucial in evaluating its sustainability.

In summary, (2,6-dibromo-4-cyano-phenyl) octanoate serves as an exciting example of how chemical structure influences both functionality and potential application. As research continues, compounds like this may unveil new horizons for innovation across various scientific fields.

Synonyms
Bromoxynil octanoate
1689-99-2
2,6-DIBROMO-4-CYANOPHENYL OCTANOATE
Octanoic acid, 2,6-dibromo-4-cyanophenyl ester
Bromoxynil octanoate [ISO]
Caswell No. 119A
3,5-Dibromo-4-hydroxybenzonitrile octanoate
HSDB 7308
UNII-9HL5XAW9SK
9HL5XAW9SK
Benzonitrile, 3,5-dibromo-4-octanoyloxy-
EINECS 216-885-3
EPA Pesticide Chemical Code 035302
3,5-Dibromo-4-octanoyloxy-benzonitrile
BRN 2756636
DTXSID7023932
RP-16272
DTXCID803932
Octanoic acid ester of 3,5-dibromo-4-hydroxybenzonitrile
BROMOXYNIL OCTANOATE [MI]
BROMOXYNIL OCTANOATE [HSDB]
Octanoic acid, ester with 3,5-dibromo-4-hydroxybenzonitrile
BROMOXYNIL OCTANOATE, (SOLID)
BROMOXYNIL OCTANOATE, [SOLID]
Bromoxynil n-octanoyl ester
2,6Dibromo4cyanophenyl octanoate
4Cyano2,6dibromophenyl octanoate
3,5Dibromo4octanoyloxybenzonitrile
Benzonitrile, 3,5dibromo4octanoyloxy
RP16272
3,5Dibromo4hydroxybenzonitrile octanoate
USEPA/OPP Pesticide Code: 035302
3,5-Dibromo-4-n-octanoyloxybenzonitrile
Octanoic acid, 2,6dibromo4cyanophenyl ester
2,6-Dibromo-4-cyanophenyl ester, octanoic acid
Octanoic acid ester of 3,5dibromo4hydroxybenzonitrile
3,5-DIBROMO-4-HYDROXYBENZONITRILE OCTANOATE ESTER
m&b 10731
Bromoxynil-octanoate
(2,6-dibromo-4-cyanophenyl) octanoate
Brominal W
Bromoxynil-octanoate 100 microg/mL in Acetonitrile
Bromoxynil octanoic acid ester
NPH 1320
4-Cyano-2,6-dibromophenyl octanoate
Bromoxyniloctanoate
2,6-Dibromo-4-cyanophenyloctanoate
SCHEMBL161072
CHEMBL1903970
Tox21_201068
AKOS016015121
NCGC00163996-01
NCGC00163996-02
NCGC00258621-01
AS-75685
DA-60034
CAS-1689-99-2
HY-136370
CS-0128786
NS00001555
[2,6-bis(bromanyl)-4-cyano-phenyl] octanoate
D97337
octanoic acid (2,6-dibromo-4-cyanophenyl) ester
A811047
Q22133404
Bromoxynil-octanoate, PESTANAL(R), analytical standard