Description

5-Amino-2,2-difluoro-1,3-benzodioxole (CAS No. 1544-85-0) is a high-purity fluorinated benzodioxole derivative with the molecular formula C₇H₅F₂NO₂. This compound features a benzodioxole core substituted with two fluorine atoms at the 2-position and an amino group at the 5-position, offering unique electronic and steric properties for advanced synthetic applications. It is supplied as a crystalline solid with >98% purity (HPLC), ensuring consistency for research and industrial use. Ideal for use in pharmaceutical intermediates, agrochemical synthesis, and materials science, this reagent is packaged under inert conditions to maintain stability. Store in a cool, dry place away from light and moisture.

Properties

• CAS Number: 1544-85-0
• Complexity: 188
• IUPAC Name: 2,2-difluoro-1,3-benzodioxol-5-amine
• InChI: InChI=1S/C7H5F2NO2/c8-7(9)11-5-2-1-4(10)3-6(5)12-7/h1-3H,10H2
• InChI Key: CVYQRDKVWVBOFP-UHFFFAOYSA-N
• Exact Mass: 173.02883473
• Molecular Formula: C7H5F2NO2
• Molecular Weight: 173.12
• SMILES: C1=CC2=C(C=C1N)OC(O2)(F)F
• Topological: 44.5
• Monoisotopic Mass: 173.02883473
• Synonyms: 5-AMINO-2,2-DIFLUORO-1,3-BENZODIOXOLE, 639-983-1, 1544-85-0, 2,2-Difluorobenzo[d][1,3]dioxol-5-amine, 2,2-Difluoro-5-aminobenzodioxole, 2,2-difluoro-1,3-benzodioxol-5-amine, 2,2-Difluoro-5-amino-1,3-benzodioxole, 5-AMINO-2,2-DIFLUOROBENZODIOXOLE, MFCD00190144, 2,2-DIFLUORO-2H-1,3-BENZODIOXOL-5-AMINE, 2,2-difluoro-5-aminobenzo[d][1,3]dioxole, 3,4-(difluoromethylenedioxy)aniline, EN300-14335, 2,2-difluorobenzo[d]1,3-dioxolene-5-ylamine, 1,3-Benzodioxol-5-amine, 2,2-difluoro-, SCHEMBL167634, SCHEMBL10451126, SCHEMBL29198016, DTXSID80371684, XBJLCOUCQBSNEA-UHFFFAOYSA-N, BDBM626024, BBL103407, SBB088734, STL557217, AKOS001105746, 2,2-difluoro-1,3-dioxaindan-5-amine, CS-W021471, PB17141, PS-8649, 5-amino-2,2-difluorobenzo-1,3-dioxole, SY009396, A3107, ST50407437, 3,4-[(DIFLUOROMETHYLENE)DIOXY]ANILINE, 2,2-DIFLUORO-BENZO[1,3]DIOXOL-5-YLAMINE, Z99600470

Application

5-Amino-2,2-difluoro-1,3-benzodioxole serves as a versatile building block in medicinal chemistry for the development of fluorinated drug candidates. Its electron-deficient benzodioxole scaffold is valuable in designing protease inhibitors and kinase modulators. The compound is also employed in agrochemical research to create novel pesticides with enhanced metabolic stability. Researchers utilize it in materials science for synthesizing fluorinated polymers with tailored optical or electronic properties.

Safety and Hazards

GHS Hazard Statements

• H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral]
• H312 (16.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (18.4%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (20.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (16.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 3 (14.3%)
• Acute Tox. 4 (16.3%)
• Skin Irrit. 2 (18.4%)
• Eye Irrit. 2A (20.4%)
• Acute Tox. 4 (16.3%)

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