Description

2,3-Dihydro-1,4-benzodioxin-5-amine (CAS No. 16081-45-1) is a high-purity organic compound with the molecular formula C₈H₉NO₂. This benzodioxin derivative features an amine functional group at the 5-position, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. With a molecular weight of 151.16 g/mol, it is supplied as a crystalline solid with ≥98% purity (HPLC) to ensure consistency in research applications. Its unique structure enables versatile reactivity, particularly in heterocyclic chemistry and drug discovery. Ideal for researchers, this compound is rigorously tested for quality and stability, packaged under inert conditions to prevent degradation. Available in quantities from milligrams to kilograms to suit lab-scale and industrial needs.

Properties

• CAS Number: 16081-45-1
• Complexity: 140
• IUPAC Name: 2,3-dihydro-1,4-benzodioxin-5-amine
• InChI: InChI=1S/C8H9NO2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3H,4-5,9H2
• InChI Key: DMLRSJNZORFCBD-UHFFFAOYSA-N
• Exact Mass: 151.063328530
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.16
• SMILES: C1COC2=C(C=CC=C2O1)N
• Topological: 44.5
• Monoisotopic Mass: 151.063328530
• Synonyms: 16081-45-1, 5-Amino-1,4-benzodioxane, 2,3-dihydro-1,4-benzodioxin-5-amine, DTXSID70472614, DTXCID10423428, 605-229-5, 2,3-Dihydrobenzo[b][1,4]dioxin-5-amine, 1,4-Benzodioxin-5-amine, 2,3-dihydro-, MFCD03695459, 2,3-Dihydro-benzo[1,4]dioxin-5-ylamine, 2,3-Dihydrobenzo[1,4]dioxin-5-ylamine, 1,4-BENZODIOXAN-5-AMINE, 5-AMINO-2,3-DIHYDRO-1,4-BENZODIOXINE, SCHEMBL253657, DMLRSJNZORFCBD-UHFFFAOYSA-N, BCP11255, BBL100218, SBB052002, STL553791, AKOS005255325, 5-amino-2,3-dihydro[1,4]benzodioxin, PB30774, PS-4546, 2H,3H-benzo[e]1,4-dioxane-5-ylamine, SY041972, DB-013961, CS-0044156, EN300-51150, Z440625166

Application

2,3-Dihydro-1,4-benzodioxin-5-amine serves as a key building block in the synthesis of bioactive molecules, particularly in developing CNS-targeting pharmaceuticals due to its benzodioxane scaffold. It is utilized in coupling reactions to create derivatives for antimicrobial or antitumor screening. The compound also finds use in material science as a precursor for functionalized polymers. Researchers employ it in mechanistic studies of amine-mediated catalytic processes.

Safety and Hazards

GHS Hazard Statements

• H301+H311+H331 (33.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (66.7%)
• Acute Tox. 4 (66.7%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (66.7%)
• 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.