Description

2,2-Diethoxyacetonitrile (CAS No. 6136-93-2) is a high-purity organic compound with the molecular formula C₆H₁₁NO₂. This specialty chemical is characterized by its clear to pale yellow appearance and is widely utilized in synthetic organic chemistry and pharmaceutical research. With a molecular weight of 129.16 g/mol, it offers excellent reactivity as a nitrile precursor in multi-step synthesis. Our product is rigorously tested to ensure ≥98% purity (GC), making it ideal for sensitive applications. Packaged under inert gas to preserve stability, it is available in quantities ranging from 5g to 10kg to suit lab-scale and pilot-scale needs. Compatible with common organic solvents, this reagent is a valuable building block for heterocyclic compounds and specialty materials.

Properties

• CAS Number: 6136-93-2
• Complexity: 98.9
• IUPAC Name: 2,2-diethoxyacetonitrile
• InChI: InChI=1S/C6H11NO2/c1-3-8-6(5-7)9-4-2/h6H,3-4H2,1-2H3
• InChI Key: UDELMRIGXNCYLU-UHFFFAOYSA-N
• Exact Mass: 129.078978594
• Molecular Formula: C6H11NO2
• Molecular Weight: 129.16
• SMILES: CCOC(C#N)OCC
• Topological: 42.3
• Monoisotopic Mass: 129.078978594
• Synonyms: Diethoxyacetonitrile, 6136-93-2, Acetonitrile, 2,2-diethoxy-, EINECS 228-111-1, 228-111-1, 2,2-diethoxyacetonitrile, Acetonitrile, diethoxy-, MFCD00043982, 2,2-diethoxyethanenitrile, cyanodiethoxymethane, Diethoxyacetonitrile, 97%, SCHEMBL442012, DTXSID0064121, SBB056427, STL451532, AKOS015843383, AB01964, CS-W013452, AS-18953, BP-11391, SY036025, DB-007412, NS00034660, ST51038240, EN300-69752, Z1117910237, InChI=1/C6H11NO2/c1-3-8-6(5-7)9-4-2/h6H,3-4H2,1-2H

Application

2,2-Diethoxyacetonitrile serves as a versatile intermediate in the synthesis of heterocyclic compounds, particularly in pharmaceutical research. It is employed as a precursor for the preparation of pyrimidines and other nitrogen-containing heterocycles. The compound’s ethoxy groups enhance its reactivity in nucleophilic addition reactions, making it valuable for constructing complex molecular architectures. Researchers also utilize it in the development of agrochemicals and specialty polymers.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (97.5%)
• Eye Irrit. 2A (97.5%)
• Acute Tox. 4 (100%)
• STOT SE 3 (97.5%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.