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1,2,3-Tris(2-cyanoethoxy)propane
[CAS# 2465-93-2]

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Identification
Classification Organic raw materials >> Nitrile compound
Name 1,2,3-Tris(2-cyanoethoxy)propane
Synonyms 3-[2,3-bis(2-cyanoethoxy)propoxy]propanenitrile
Molecular Structure CAS # 2465-93-2, 1,2,3-Tris(2-cyanoethoxy)propane, 3-[2,3-bis(2-cyanoethoxy)propoxy]propanenitrile
Molecular Formula C12H17N3O3
Molecular Weight 251.28
CAS Registry Number 2465-93-2
EC Number 219-573-5
SMILES C(COCC(COCCC#N)OCCC#N)C#N
Properties
Solubility 6.66e+005 mg/L (25 ºC water)
Density 1.1±0.1 g/cm3, Calc.*, 1.107 g/mL
Index of Refraction 1.465, Calc.*
Melting point 150.16 ºC
Boiling Point 492.4±45.0 ºC (760 mmHg), Calc.*, 410.43 ºC
Flash Point 200.7±21.6 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbols symbol symbol   GHS06;GHS07 Danger    Details
Hazard Statements H301-H302-H312-H315-H319-H332-H335    Details
Precautionary Statements P261-P264-P264+P265-P270-P271-P280-P301+P316-P301+P317-P302+P352-P304+P340-P305+P351+P338-P317-P319-P321-P330-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501    Details
Hazard Classification
up    Details
HazardClassCategory CodeHazard Statement
Skin irritationSkin Irrit.2H315
Acute toxicityAcute Tox.4H332
Specific target organ toxicity - single exposureSTOT SE3H335
Acute toxicityAcute Tox.3H301
Acute toxicityAcute Tox.4H302
Acute toxicityAcute Tox.4H312
Eye irritationEye Irrit.2H319
Eye irritationEye Irrit.2AH319
SDS Available
up Discovory and Applicatios
1,2,3-Tris(2-cyanoethoxy)propane, also known by its systematic name, is a chemical compound consisting of a propane backbone with three 2-cyanoethoxy groups attached at positions 1, 2, and 3. This compound is of interest primarily due to its chemical structure and the presence of cyanoethoxy functional groups, which can participate in various chemical reactions and interactions. It is synthesized by attaching cyanoethoxy groups to a propane backbone, typically through a reaction involving the appropriate precursor compounds.

The discovery of 1,2,3-tris(2-cyanoethoxy)propane is tied to the development of versatile molecules with specific functional groups that can serve as intermediates in organic synthesis. These functional groups can influence the reactivity and chemical behavior of the molecule, allowing it to be used in a variety of synthetic applications. The cyanoethoxy groups provide sites for nucleophilic substitution and other types of reactivity, making this compound useful in the synthesis of more complex molecules.

1,2,3-Tris(2-cyanoethoxy)propane has been explored for its applications in materials science, particularly in the development of polymers and other macromolecular structures. The cyanoethoxy groups can interact with other functional groups in polymer chemistry, allowing for the synthesis of copolymers or the modification of existing polymeric structures. These interactions can enhance the properties of the resulting materials, such as their stability, reactivity, or solubility.

Additionally, this compound has potential uses in the synthesis of specialized organic compounds. The cyanoethoxy groups can be utilized in a variety of reactions, such as nucleophilic substitution, esterification, or polymerization, allowing for the creation of new materials with specific properties. Its use in synthetic organic chemistry can also extend to the production of pharmaceutical intermediates or agrochemical compounds, where its ability to undergo chemical transformations makes it a valuable building block.

The application of 1,2,3-tris(2-cyanoethoxy)propane in the field of electronic materials is another area of interest. Its molecular structure can be adapted for the development of materials with specific electronic or optical properties, such as those used in the manufacture of semiconductors, displays, or sensors. The presence of cyanoethoxy groups in the structure can influence the electronic properties of the material, making it suitable for these applications.

In summary, 1,2,3-tris(2-cyanoethoxy)propane is a chemical compound with significant potential in organic synthesis and materials science. Its cyanoethoxy functional groups provide opportunities for reactivity and the development of new materials and compounds. While its specific applications may vary, its utility in the synthesis of complex molecules, polymer chemistry, and electronic materials underscores its importance in various chemical industries.
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