sodium;2,2-dimethylpropanoate;hydrate


Chemical Name: sodium;2,2-dimethylpropanoate;hydrate
CAS Number: 143174-36-1
Product Number: AG003UED(AGN-PC-04738R)
Synonyms:
MDL No: MFCD00150782
Molecular Formula: C5H11NaO3
Molecular Weight: 142.1288

Identification/Properties


Properties
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
142.13g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
142.061g/mol
Monoisotopic Mass:
142.061g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
82.9
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Sodium Trimethylacetate xHydrate is a versatile reagent commonly used in chemical synthesis processes. It serves as an effective acylating agent, facilitating the introduction of acetyl groups into various organic molecules. This compound finds widespread application in the pharmaceutical industry, where it is utilized in the synthesis of numerous pharmaceutical intermediates and active pharmaceutical ingredients (APIs). Additionally, Sodium Trimethylacetate xHydrate is employed in the production of specialty chemicals, such as agrochemicals and fragrances. Its high reactivity and selectivity make it a valuable tool for organic chemists seeking to carry out acylation reactions with precision and efficiency.