Description

3-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-oxopropanenitrile (CAS No. 36140-83-7) is a high-purity chemical compound with the molecular formula C₈H₉N₃O, designed for advanced research and industrial applications. This specialized nitrile derivative features a pyrazole core with dimethyl substituents, offering unique reactivity and versatility in synthetic chemistry. With a molecular weight of 163.18 g/mol, it is supplied as a fine crystalline powder or solution, ensuring consistent performance in your experiments.

Our product undergoes rigorous quality control, including HPLC and NMR analysis, to guarantee ≥97% purity (by GC/MS). Ideal for pharmaceutical intermediates, agrochemical synthesis, and material science research, this compound is packaged under inert conditions to ensure stability and longevity. Available in quantities ranging from milligrams to kilograms, we cater to both small-scale laboratory needs and bulk industrial requirements.

Key identifiers include: MFCD00051954, NSC-95424, and DTXSID90294239. SDS and technical data sheets are provided upon request. Store in a cool, dry place (2-8°C recommended) away from light and moisture.

Properties

• CAS Number: 36140-83-7
• Complexity: 230
• IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-3-oxo-propanenitrile
• InChI: InChI=1S/C8H9N3O/c1-6-5-7(2)11(10-6)8(12)3-4-9/h5H,3H2,1-2H3
• InChI Key: DDWZYWSLHBDVGR-UHFFFAOYSA-N
• Exact Mass: 163.074561919
• Molecular Formula: C8H9N3O
• Molecular Weight: 163.18
• SMILES: CC1=CC(=NN1C(=O)CC#N)C
• Topological: 58.7
• Monoisotopic Mass: 163.074561919
• Synonyms: 3-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-oxopropanenitrile, DTXSID90294239, DTXCID00245378, 677-786-2, 36140-83-7, 1-CYANOACETYL-3,5-DIMETHYLPYRAZOLE, 3-(3,5-dimethylpyrazol-1-yl)-3-oxopropanenitrile, MFCD00051954, 1-Cyanoacetyl-3,5-dimethyl-1H-pyrazole, NSC-95424, 1H-pyrazole-1-propanenitrile, 3,5-dimethyl-beta-oxo-, 3-(3,5-dimethylpyrazolyl)-3-oxopropanenitrile, NSC95424, 3-(3,5-dimethylpyrazol-1-yl)-3-oxo-propanenitrile, Cambridge id 5140887, SCHEMBL1950063, HMS1578N01, 1,Cyanoacetyl-3,5-dimethylpyrazole, ALBB-027946, SBB042665, AKOS000271097, 52A2F398K2, FD135168, SY167690, DB-423829, CS-0111031, ST50411258, 1-Cyanoacetyl-3,5-dimethyl-1H-pyrazole,97%, EN300-26906, 3,5-Dimethyl-beta-oxo-1H-pyrazole-1-propanenitrile, 3-(3,5-Dimethyl-1-pyrazolyl)-3-oxopropanenitrile, Z57965524, 3-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-oxopropanenitrile #

This compound serves as a versatile building block in heterocyclic chemistry, particularly for synthesizing pyrazole-containing pharmaceuticals. Researchers employ it as a precursor for kinase inhibitors and antimicrobial agents due to its reactive cyanoacetyl group. In material science, it finds use in coordination chemistry as a ligand for transition metal complexes. The dimethylpyrazole moiety enhances metabolic stability in drug discovery applications.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (33.3%)
• Skin Irrit. 2 (33.3%)
• Eye Irrit. 2 (33.3%)
• Acute Tox. 4 (33.3%)
• STOT SE 3 (16.7%)

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