Atomfair 5-bromo-2,3-dihydro-1H-indene-1,3-dione C9H5BrO2 CAS 27611-39-8

Description

5-Bromo-2,3-dihydro-1H-indene-1,3-dione (CAS No. 27611-39-8) is a high-purity brominated indanedione derivative with the molecular formula C₉H₅BrO₂. This compound is a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and functional materials. Its unique structure, featuring a reactive bromine substituent and two carbonyl groups, makes it an excellent electrophile for cross-coupling reactions, nucleophilic substitutions, and cyclization processes. The product is supplied as a crystalline solid with ≥95% purity (HPLC), ensuring consistency for research and industrial applications. Proper handling under inert conditions is recommended due to its sensitivity to moisture and light. Available in quantities ranging from grams to kilograms, it is ideal for medicinal chemistry, material science, and chemical biology research.

Properties

• CAS Number: 27611-39-8
• Complexity: 237
• IUPAC Name: 5-bromoindane-1,3-dione
• InChI: InChI=1S/C9H5BrO2/c10-5-1-2-6-7(3-5)9(12)4-8(6)11/h1-3H,4H2
• InChI Key: ADTNQTYUZPHLAS-UHFFFAOYSA-N
• Exact Mass: 223.94729
• Molecular Formula: C9H5BrO2
• Molecular Weight: 225.04
• SMILES: C1C(=O)C2=C(C1=O)C=C(C=C2)Br
• Topological: 34.1
• Monoisotopic Mass: 223.94729
• Synonyms: 5-bromo-2,3-dihydro-1H-indene-1,3-dione, 831-443-5, 27611-39-8, 5-Bromo-1H-indene-1,3(2H)-dione, 5-bromoindene-1,3-dione, 5-BROMO-1,3-INDANDIONE, 5-Bromoindan-1,3-dione, 5-bromo indane-1,3-dione, SCHEMBL14179042, DTXSID70446870, ADTNQTYUZPHLAS-UHFFFAOYSA-N, CBA61139, AKOS037645157, AS-57786, D86839, EN300-260008

Application

5-Bromo-2,3-dihydro-1H-indene-1,3-dione is widely used as a key synthon in the synthesis of biologically active compounds, including kinase inhibitors and antimicrobial agents. Its bromine moiety facilitates Suzuki-Miyaura and Buchwald-Hartwig couplings for constructing complex heterocycles. Researchers also employ it in the development of organic electronic materials due to its electron-accepting properties. In agrochemical research, it serves as a precursor for herbicides and plant growth regulators.

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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