Description

4,6-Dichloro-8-oxa-3,5-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),3,5,10,12-hexaene (CAS No. 160199-95-1) is a high-purity heterocyclic compound with the molecular formula C₁₀H₄Cl₂N₂O. This complex tricyclic structure, also known as 2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine, features a fused benzofuropyrimidine core with two reactive chlorine substituents at the 4- and 6-positions. The compound is supplied as a crystalline solid with ≥95% purity (HPLC), ideal for pharmaceutical intermediates, organic synthesis, and materials science research. Its unique rigid polycyclic architecture makes it valuable for developing novel bioactive molecules and optoelectronic materials. Proper handling under inert atmosphere is recommended due to potential sensitivity to moisture.

Properties

• CAS Number: 160199-95-1
• Complexity: 254
• IUPAC Name: 2,4-dichlorobenzofuro[3,2-d]pyrimidine
• InChI: InChI=1S/C10H4Cl2N2O/c11-9-8-7(13-10(12)14-9)5-3-1-2-4-6(5)15-8/h1-4H
• InChI Key: PHHATHMJJOZFEK-UHFFFAOYSA-N
• Exact Mass: 237.9700681
• Molecular Formula: C10H4Cl2N2O
• Molecular Weight: 239.05
• SMILES: C1=CC=C2C(=C1)C3=C(O2)C(=NC(=N3)Cl)Cl
• Topological: 38.9
• Monoisotopic Mass: 237.9700681
• Synonyms: 160199-95-1, 4,6-dichloro-8-oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene, 4,6-Dichloro-8-oxa-3,5-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),3,5,10,12-hexaene, 967-788-4, 2,4-DICHLOROBENZOFURO[3,2-D]PYRIMIDINE, Benzofuro[3,2-d]pyrimidine, 2,4-dichloro-, 2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine, MFCD13190348, SCHEMBL1310612, 2,4-DICHLORO-BENZO[4,5]FURO[3,2-D]PYRIMIDINE, PHHATHMJJOZFEK-UHFFFAOYSA-N, KGA19995, AKOS028108289, AB70248, DB-111729, CS-0085147, E87913, EN300-201522, Z1509707647

Application

This dichlorinated benzofuropyrimidine derivative serves as a key scaffold in medicinal chemistry for developing kinase inhibitors and antiviral agents. Researchers utilize it as a versatile building block for Suzuki coupling and nucleophilic aromatic substitution reactions. The compound’s extended π-conjugated system makes it of interest in organic semiconductor research. It has also been investigated as a precursor for fluorescent dyes and photoactive materials.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

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