Description

2,6-Dichlorobenzoxazole (CAS No. 3621-82-7) is a high-purity heterocyclic organic compound with the molecular formula C₇H₃Cl₂NO. This benzoxazole derivative is characterized by two chlorine substituents at the 2- and 6-positions, making it a versatile intermediate for pharmaceutical, agrochemical, and material science research. Its IUPAC name is 2,6-dichloro-1,3-benzoxazole, and it is supplied as a crystalline solid with guaranteed ≥98% purity (HPLC). Suitable for use in Suzuki couplings, nucleophilic substitutions, and other fine chemical syntheses, this compound is rigorously tested for consistency and stored under optimal conditions to ensure stability. Available in scalable quantities from milligrams to kilograms, it is ideal for lab-scale R&D and industrial applications.

Properties

• CAS Number: 3621-82-7
• Complexity: 155
• IUPAC Name: 2,6-dichloro-1,3-benzoxazole
• InChI: InChI=1S/C7H3Cl2NO/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H
• InChI Key: LVVQTPZQNHQLOM-UHFFFAOYSA-N
• Exact Mass: 186.9591691
• Molecular Formula: C7H3Cl2NO
• Molecular Weight: 188.01
• SMILES: C1=CC2=C(C=C1Cl)OC(=N2)Cl
• Topological: 26
• Monoisotopic Mass: 186.9591691
• Synonyms: 2,6-Dichlorobenzoxazole, 3621-82-7, EINECS 222-818-9, DTXSID60189769, EC 222-818-9, DTXCID70112260, 222-818-9, 2,6-dichloro-1,3-benzoxazole, benzoxazole, 2,6-dichloro-, 2,6-DICHLOROBENZO[D]OXAZOLE, MFCD07368635, 2,6-dichlorobenzooxazole, 2,6-dichloro benzoxazole, 2,6-dichloro-benzoxazole, SCHEMBL895172, 2,6-Dichloro-1,3-benzooxazole, 2,6-DICHLORO-BENZOOXAZOLE, 2,6-dichlorobenzoxazole, AldrichCPR, AB2806, AKOS006346249, AB32054, AC-1590, CS-W019433, PS-5108, SY005172, DB-005148, D3459, NS00010229, EN300-330995

Application

2,6-Dichlorobenzoxazole serves as a key building block in the synthesis of bioactive molecules, including antimicrobial and antiviral agents. It is widely used in cross-coupling reactions to create complex heterocycles for drug discovery. Researchers also employ it as a precursor for functionalized benzoxazoles in material science, such as OLED and polymer additives. Its reactivity with nucleophiles enables modifications for targeted molecular design.

Safety and Hazards

GHS Hazard Statements

• H302 (98.8%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (50.6%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H314 (49.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H317 (49.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (48.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H400 (49.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (50.6%): 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+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P363, P391, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (98.8%)
• Acute Tox. 3 (50.6%)
• Skin Corr. 1B (49.4%)
• Skin Sens. 1 (49.4%)
• Eye Irrit. 2 (48.1%)
• Aquatic Acute 1 (49.4%)
• Aquatic Chronic 1 (50.6%)

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