Description

4,6-Dichloro-5-fluoropyrimidine (CAS No. 213265-83-9) is a highly versatile fluorinated pyrimidine derivative with the molecular formula C₄HCl₂FN₂. This compound is a key intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of nucleoside analogs, antiviral agents, and herbicides. Its unique halogenated structure enables selective reactivity in cross-coupling reactions, nucleophilic substitutions, and other organic transformations. With a purity of ≥98% (HPLC), this product is supplied as a white to off-white crystalline powder, ensuring consistent performance in research and industrial applications. Suitable for use under inert conditions, it is packaged in amber glass vials to maintain stability and prevent degradation. Store at 2-8°C in a dry environment to prolong shelf life.

Properties

• CAS Number: 213265-83-9
• Complexity: 92.6
• IUPAC Name: 4,6-dichloro-5-fluoro-pyrimidine
• InChI: InChI=1S/C4HCl2FN2/c5-3-2(7)4(6)9-1-8-3/h1H
• InChI Key: DGMIGAHDDPJOPN-UHFFFAOYSA-N
• Exact Mass: 165.9500816
• Molecular Formula: C4HCl2FN2
• Molecular Weight: 166.97
• SMILES: C1=NC(=C(C(=N1)Cl)F)Cl
• Topological: 25.8
• Monoisotopic Mass: 165.9500816
• Synonyms: 4,6-Dichloro-5-fluoropyrimidine, 213265-83-9, DTXSID80461170, DTXCID90411989, 446-560-3, 606-739-0, 4,6-dichloro-5-fluoro-pyrimidine, MFCD08056331, PYRIMIDINE, 4,6-DICHLORO-5-FLUORO-, SCHEMBL83934, BCP22840, BBL101435, STL555231, AKOS005258658, AC-1077, BCP9000136, CS-W007992, FD11921, GS-6770, PB18840, BL008438, SY009095, EN300-107313, Z1198175235

4,6-Dichloro-5-fluoropyrimidine is widely used as a building block in medicinal chemistry for the synthesis of fluorinated pyrimidine-based drugs, including antiviral and anticancer agents. Its reactivity with amines and alcohols makes it valuable for creating diverse heterocyclic scaffolds. Researchers also employ it in Suzuki-Miyaura and Buchwald-Hartwig coupling reactions to develop novel bioactive compounds. In agrochemical research, it serves as a precursor for herbicides and plant growth regulators. Handle with standard laboratory precautions under well-ventilated conditions.

Safety and Hazards

GHS Hazard Statements

• H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
• H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
• H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P405, and P501

Hazard Classes and Categories

• Acute Tox. 2 (100%)
• Acute Tox. 3 (100%)
• Skin Corr. 1 (100%)
• Skin Sens. 1A (100%)
• Eye Dam. 1 (100%)
• STOT RE 2 (100%)
• Aquatic Acute 1 (100%)
• Aquatic Chronic 1 (100%)

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