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4-cyano-2,6-diiodophenyl octanoate

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Identification
Molecular formula
C15H17INO2
CAS number
1234567-89-0
IUPAC name
(4-cyano-2,6-diiodo-phenyl) octanoate
State
State

At room temperature, 4-cyano-2,6-diiodophenyl octanoate is a solid. It is generally stable under normal conditions of temperature and pressure.

Melting point (Celsius)
55.00
Melting point (Kelvin)
328.15
Boiling point (Celsius)
350.00
Boiling point (Kelvin)
623.15
General information
Molecular weight
507.14g/mol
Molar mass
507.1410g/mol
Density
2.0100g/cm3
Appearence

The compound appears as a white to off-white crystalline solid. It has a fine particulate appearance and is generally opaque. The size and shape of the crystals can vary based on the synthesis method.

Comment on solubility

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

The solubility of (4-cyano-2,6-diiodo-phenyl) octanoate can be particularly intriguing due to its unique molecular structure and the presence of both polar and non-polar components. Here are some key points to consider:

  • Solvent Polarity: Compounds containing long alkyl chains, like octanoates, tend to be more soluble in non-polar solvents. On the other hand, the cyano and halogen groups introduce polar characteristics that can enhance solubility in polar solvents.
  • Temperature Effect: Generally, the solubility of organic compounds increases with temperature. Thus, heating the solvent may improve the solubility of (4-cyano-2,6-diiodo-phenyl) octanoate.
  • Complex Formation: This compound may form hydrogen bonds or other interactions in suitable solvents, contributing further to its solubility profile.
  • Potential Applications: Its solubility characteristics might make it suitable for use in organic synthesis or as a component in various formulations.

In conclusion, the solubility of (4-cyano-2,6-diiodo-phenyl) octanoate is multifaceted, influenced by factors such as solvent type and temperature, leading to potential applications across various fields. Understanding these solubility properties is crucial for effectively utilizing this compound in practical applications.

Interesting facts

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

(4-cyano-2,6-diiodo-phenyl) octanoate is a unique chemical compound with intriguing properties and applications. Here are some key points that highlight its significance:

  • Functional Groups: The compound contains a cyano group (-CN) and iodinated phenyl ring, which contribute to its chemical reactivity and the potential for polymerization.
  • Biological Activity: Compounds like (4-cyano-2,6-diiodo-phenyl) octanoate are often studied for their biological properties, making them potential candidates for pharmaceutical applications.
  • Synthesis Pathways: The synthesis of this compound typically involves multiple steps, and understanding its synthesis can shed light on the development of complex organic molecules.
  • Environmental Impact: As with many halogenated compounds, it's important to evaluate the environmental and toxicological aspects of (4-cyano-2,6-diiodo-phenyl) octanoate, especially concerning its iodine content, which has implications for ecological safety.
  • Applications in Material Science: The intriguing characteristics of this compound lend it to material science, where it can be explored for use in coatings, polymers, or specialized materials.

In summary, (4-cyano-2,6-diiodo-phenyl) octanoate is more than just a chemical formula; it represents a fascinating intersection of organic chemistry, biology, and material science. As chemistry students and researchers delve into its characteristics, they unveil not only the compound's potential applications but also its role in advancing the frontier of chemical science.

Synonyms
Ioxynil octanoate
3861-47-0
3,5-Diiodo-4-hydroxybenzonitrile octanoate
3,5-Diiodo-4-octanoyloxybenzonitrile
4-Cyano-2,6-diiodophenyl octanoate
Ioxynil octanoate [BSI:ISO]
RIP-15830
Oxytril
Octanoic acid, 4-cyano-2,6-diiodophenyl ester
Benzonitrile, 3,5-diiodo-4-hydroxy-, octanoate
Benzonitrile, 3,5-diiodo-4-octanoyloxy-
M&B 11,461
EINECS 223-375-4
75K1F1JBKR
BRN 2756640
STELLOX
4-Cyano-2,6-dijodphenol caprysaeureester
BENTROL L
Octanoic acid, ester with 4-hydroxy-3,5-diiodobenzonitrile
3,5-Dijod-4-hydroxy-benzonitril caprysaeureester
4-Cyano-2,6-dijodphenol caprysaeureester [German]
IOXYNIL OCTANOATE [MI]
3,5-Dijod-4-hydroxy-benzonitril caprysaeureester [German]
IOXYNIL OCTANOATE [ISO]
DTXSID8042054
Octanoic acid, (4-cyano-2,6-diiodo)phenyl ester
MB-11641
M&B 11641
3,5-DIIODO-4-N-OCTANOYLOXYBENZONITRILE
DTXCID6022054
Totril
Ioxynil-octanoate
(4-cyano-2,6-diiodophenyl) octanoate
CHEBI:81928
UNII-75K1F1JBKR
Ioxynil-octanoate 10 microg/mL in Isooctane
SCHEMBL164304
CHEMBL2272565
QBEXFUOWUYCXNI-UHFFFAOYSA-
AKOS015888351
NS00019609
C18740
Ioxynil-octanoate, PESTANAL(R), analytical standard
Q27155659
InChI=1/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3