Description

4-Chloro-6-methoxypyrimidine (CAS No. 26452-81-3) is a high-purity heterocyclic organic compound with the molecular formula C₅H₅ClN₂O. This versatile pyrimidine derivative is widely utilized in pharmaceutical and agrochemical research as a key intermediate for the synthesis of biologically active molecules. Its unique structure, featuring a reactive chloro group and methoxy substituent, makes it invaluable for nucleophilic substitution reactions and cross-coupling chemistry. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied as a white to off-white crystalline powder under inert packaging to maintain stability. Suitable for medicinal chemistry, material science, and as a building block for advanced heterocyclic systems.

Properties

• CAS Number: 26452-81-3
• Complexity: 91
• IUPAC Name: 4-chloro-6-methoxy-pyrimidine
• InChI: InChI=1S/C5H5ClN2O/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3
• InChI Key: KLJGSQVYUGQOAW-UHFFFAOYSA-N
• Exact Mass: 144.0090405
• Molecular Formula: C5H5ClN2O
• Molecular Weight: 144.56
• SMILES: COC1=CC(=NC=N1)Cl
• Topological: 35
• Monoisotopic Mass: 144.0090405
• Synonyms: 4-Chloro-6-methoxypyrimidine, 26452-81-3, DTXSID60359980, DTXCID50311032, 435-030-7, 678-369-8, Pyrimidine, 4-chloro-6-methoxy-, 4-Chloro-6-methoxy-pyrimidine, MFCD06200211, 6-chloro-4-methoxypyrimidine, SCHEMBL632070, SCHEMBL938783, SCHEMBL6972906, SCHEMBL7757243, CS-D1580, 6-chloro-4-pyrimidinyl methyl ether, BBL102360, SBB079086, STL556160, AKOS005169850, AB23017, AC-6199, PS-3825, 4-Chloro-6-methoxypyrimidine, AldrichCPR, SY017908, DB-012188, C2369, EN300-96025, AN-584/43099709

Application

4-Chloro-6-methoxypyrimidine serves as a critical precursor in the synthesis of antiviral and anticancer agents due to its pyrimidine core. It is extensively used in Suzuki-Miyaura cross-coupling reactions to create novel pharmaceutical scaffolds. Researchers also employ this compound in the development of herbicides and fungicides, leveraging its halogenated heterocyclic reactivity.

Safety and Hazards

GHS Hazard Statements

• H302 (92.5%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (92.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]

Precautionary Statements

• P262, P264, P270, P280, P301+P317, P302+P352, P316, P321, P330, P361+P364, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 3 (98.5%)

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