Description

1,3-Benzodioxole-5-carboxaldehyde, 6-bromo- (CAS No. 15930-53-7) is a high-purity brominated benzodioxole derivative with the molecular formula C₈H₅BrO₃. This compound, also known as 6-bromo-1,3-benzodioxole-5-carbaldehyde, features a benzodioxole core functionalized with a bromo substituent and an aldehyde group, making it a versatile intermediate for organic synthesis and pharmaceutical research. Its unique structure is ideal for cross-coupling reactions, electrophilic substitutions, and as a precursor for heterocyclic compounds. Available in >98% purity (HPLC), this reagent is supplied in rigorously tested packaging to ensure stability and longevity. Suitable for use in analytical, medicinal, and material science applications.

Properties

• CAS Number: 15930-53-7
• Complexity: 185
• IUPAC Name: 6-bromo-1,3-benzodioxole-5-carbaldehyde
• InChI: InChI=1S/C8H5BrO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-3H,4H2
• InChI Key: CSQUXTSIDQURDV-UHFFFAOYSA-N
• Exact Mass: 227.94221
• Molecular Formula: C8H5BrO3
• Molecular Weight: 229.03
• SMILES: C1OC2=C(O1)C=C(C(=C2)C=O)Br
• Topological: 35.5
• Monoisotopic Mass: 227.94221
• Synonyms: 1,3-Benzodioxole-5-carboxaldehyde, 6-bromo-, Piperonal, 6-bromo-, 2-Bromo-4,5-methylenedioxybenzaldehyde, 6-Bromo-1,3-benzodioxole-5-carboxaldehyde, Benzaldehyde, 2-bromo-4,5-methylenedioxy-, NSC 15639, BRN 0383965, AI3-21175, DTXSID10166626, 5-19-04-00232 (Beilstein Handbook Reference), DTXCID8089117, 1,3-Benzodioxole-5-carboxaldehyde, 6-bromo-(9CI), 672-421-3, 6-Bromopiperonal, 15930-53-7, 6-Bromo-1,3-benzodioxole-5-carbaldehyde, 6-Bromobenzo[d][1,3]dioxole-5-carbaldehyde, 6-Bromo-benzo[1,3]dioxole-5-carbaldehyde, 6-Bromo-2H-1,3-Benzodioxole-5-Carbaldehyde, HW4F8SRZ4Q, 6-Bromo-3,4-methylenedioxybenzaldehyde, NSC-15639, 6-bromo-2H-benzo[d]1,3-dioxolene-5-carbaldehyde, MFCD00022952, 2-Bromo-4,5-(methylenedioxy)benzaldehyde; 6-Bromo-1,3-benzodioxole-5-carboxaldehyde; 6-Bromo-3,4-(methylenedioxy)benzaldehyde; 6-Bromobenzodioxole-5-carboxaldehyde; NSC 15639;, NSC15639, 6-bromo-1,3-dioxaindane-5-carbaldehyde, UNII-HW4F8SRZ4Q, SCHEMBL583659, Benzaldehyde,5-methylenedioxy-, 1,3-Benzodioxole-5-carboxaldehyde, 6-bromo- (9CI), CHEMBL4571896, CSQUXTSIDQURDV-UHFFFAOYSA-, SBB001594, STK023539, AKOS000120604, AC-6542, CS-W005335, 6-bromo benzo[1,3]dioxole-5-carbaldehyde, 6-Bromo-1,3-benzodioxol-5-carboxaldehyde, DB-043422, ST4045692, 6-Bromo-1,3-benzodioxole-5-carbaldehyde #, 6-Bromo-1,3-benzodioxole-5-carboxyaldehyde, 6-bromobenzo[d][1,3]dioxol-5-carbaldehyde, A3519, B2332, EN300-18185, 5M-952, 6-Bromo-1,3-benzodioxole-5-carboxaldehyde, 97%, AE-641/00346054, AE-641/30608019, Z57313896, InChI=1/C8H5BrO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-3H,4H2

Application

6-Bromo-1,3-benzodioxole-5-carbaldehyde is widely utilized as a key synthetic intermediate in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its reactive aldehyde and bromo groups enable participation in Suzuki-Miyaura, Heck, and other palladium-catalyzed coupling reactions. Researchers employ this compound in the development of bioactive molecules, including potential antiviral and anticancer agents. It is also used in material science for the synthesis of functionalized polymers and ligands.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (88.9%)

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