Description

3,5-Dimethylpyrazole (CAS 67-51-6) is a high-purity heterocyclic organic compound with the molecular formula C₅H₈N₂. This white to off-white crystalline solid is widely utilized in pharmaceutical, agrochemical, and coordination chemistry research due to its versatile reactivity as a ligand and building block. With a molecular weight of 96.13 g/mol and a melting point of 106-108°C, our product is rigorously tested to meet ≥98% purity standards (HPLC). The compound is packaged under inert atmosphere to ensure stability, with available quantities ranging from grams to multi-kilogram batches. Technical specifications include:

• IUPAC Name: 3,5-dimethyl-1H-pyrazole
• Storage Conditions: 2-8°C in airtight containers
• Solubility: Soluble in ethanol, acetone, and ether; slightly soluble in water
• Hazard Codes: Xi (Irritant)

Ideal for Suzuki coupling reactions, metal-organic framework synthesis, and as a precursor for biologically active molecules.

Properties

• CAS Number: 67-51-6
• Complexity: 63.1
• IUPAC Name: 3,5-dimethyl-1H-pyrazole
• InChI: InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)
• InChI Key: SDXAWLJRERMRKF-UHFFFAOYSA-N
• Exact Mass: 96.068748264
• Molecular Formula: C5H8N2
• Molecular Weight: 96.13
• SMILES: CC1=CC(=NN1)C
• Topological: 28.7
• Monoisotopic Mass: 96.068748264
• Physical Description: Pellets or Large Crystals
• Vapor Pressure: 0.14 [mmHg]
• Synonyms: 3,5-Dimethylpyrazole, 3,5-Dimethyl-1H-pyrazole, 1H-Pyrazole, 3,5-dimethyl-, PYRAZOLE, 3,5-DIMETHYL-, 3,5 DMP, 3,5-Dwumetylopirazolu, TH 564, NSC 8729, U 6245, 3,5-Dwumetylopirazolu [Polish], EINECS 200-657-5, UNII-H21N865K9J, BRN 0106325, H21N865K9J, NSC-8729, TRIXENE DP 8692, 1(H)-3,5-Dimethylpyrazole, DTXSID5058777, SDXAWLJRERMRKF-UHFFFAOYSA-, EC 200-657-5, 5-23-05-00110 (Beilstein Handbook Reference), TH-564, U-6245, 3,5Dwumetylopirazolu, 3,5Dimethyl1Hpyrazole, Pyrazole, 3,5dimethyl, 1HPyrazole, 3,5dimethyl, DTXCID1044853, 200-657-5, inchi=1/c5h8n2/c1-4-3-5(2)7-6-4/h3h,1-2h3,(h,6,7), sdxawljrermrkf-uhfffaoysa-n, 67-51-6, MFCD00005243, 3,5-dimethyl pyrazole, dimethylpyrazole, Pyrazole,5-dimethyl-, 3,5-Dimethyl-Pyrazole, 1H-Pyrazole,5-dimethyl-, 3,5-dimethyl-1H-pyrazol, SCHEMBL1503, SCHEMBL45155, 3,5-Dimethylpyrazole, 99%, SCHEMBL294275, SCHEMBL317612, QSPL 007, SCHEMBL1197050, SCHEMBL4488583, CHEMBL1828957, SCHEMBL28429244, NSC8729, CHEBI:229331, BCP32182, SBB004377, STK299969, AKOS000120332, AS-5542, FD45132, SB16017, NCGC00342010-01, SY001302, DB-304254, D1647, NS00007733, ST45154848, EN300-16235, P19711, AB00374449-03, AC-907/34116050, AE-848/32586026, Q17122069, Z50145988, 3,5-Dimethyl-1H-pyrazole;1H-Pyrazole, 3,5-dimethyl-, F1982-0002, 3,5-Dimethylpyrazole, produced by Wacker Chemie AG, Burghausen, Germany, >=99.0% (GC)

Application

3,5-Dimethylpyrazole serves as a key intermediate in the synthesis of fungicides and pharmaceutical compounds, particularly those targeting enzyme inhibition. In coordination chemistry, it acts as a versatile ligand for transition metal complexes used in catalytic systems. The compound’s structural properties make it valuable for developing novel heterocyclic compounds in medicinal chemistry research.

Safety and Hazards

GHS Hazard Statements

• H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (45.5%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (45.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (39.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H361 (48.6%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
• H373 (49.1%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

Precautionary Statements

• P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (92.7%)
• Skin Irrit. 2 (45.5%)
• Eye Irrit. 2A (45.9%)
• STOT SE 3 (39.1%)
• Repr. 2 (48.6%)
• STOT RE 2 (49.1%)

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