CAS 5015-38-3

Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1)

Description:

Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1), with the CAS number 5015-38-3, is an organophosphorus compound characterized by the presence of a propanenitrile group and a phosphonooxy functional group, which is coordinated with barium ions. This compound typically exhibits properties associated with both nitriles and phosphonates, including potential applications in agriculture as a herbicide or pesticide due to its phosphonic acid derivative structure. The barium salt form suggests that it may have enhanced solubility or stability in certain environments compared to its free acid counterpart. In terms of reactivity, the nitrile group can participate in nucleophilic addition reactions, while the phosphonooxy group may exhibit behavior typical of phosphonates, such as chelation with metal ions. Safety and handling considerations are important, as with many organophosphorus compounds, due to potential toxicity and environmental impact. Overall, this compound's unique structure may confer specific biological activities, making it of interest in various chemical and agricultural applications.

Formula: C₃H₆NO₄P·Ba

InChI: InChI=1S/C3H6NO4P.Ba/c4-2-1-3-8-9(5,6)7;/h1,3H2,(H2,5,6,7);

InChI key: InChIKey=JVBZVUCARVJMSX-UHFFFAOYSA-N

SMILES: O(P(=O)(O)O)CCC#N.[Ba]

Synonyms:

• 2-Cyanoethyl Phosphate
• 2-Cyanoethyl phosphate barium salt
• Barium 2-Cyanoethyl Phosphate
• Barium 2-Cyanoethyl Phosphate Hydrate
• Barium 2-cyanoethyl phosphate dihydrate
• Barium β-cyanoethyl phosphate
• Hydracrylonitrile, dihydrogen phosphate (ester), barium salt (1:1)
• Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1)

Barium 2-Cyanoethylphosphate Hydrate [Phosphorylating Agent]

CAS: 207121-42-4, 5015-38-3

Formula: C₃H₄BaNO₄P·xH₂O

Purity: >98.0%(T)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 286.37 (as Anhydrous)

Ref: 3B-C0978

Barium 2-cyanoethylphosphate

CAS: 5015-38-3

Formula: C₃H₄BaNO₄P

Purity: 98%

Color and Shape: Solid

Molecular weight: 286.3689

Ref: IN-DA003NYQ

2-Cyanoethyl Phosphate, Barium

Controlled Product

CAS: 5015-38-3

Applications A phosphorylating agent with a protecting group sensitive to mild alkali, useful as an intermediate in the synthesis of nucleotides.
References Tener, G.M.: J. ACS, 83, 159-168 (1961)

Formula: C₃H₄NO₄P·Ba

Color and Shape: Neat

Molecular weight: 286.37

Ref: TR-C980950