Atomfair 3,8-Dibromo-1,10-phenanthroline C12H6Br2N2 CAS 100125-12-0

Description

3,8-Dibromo-1,10-phenanthroline (CAS No. 100125-12-0) is a high-purity brominated phenanthroline derivative with the molecular formula C₁₂H₆Br₂N₂. This heterocyclic aromatic compound features two bromine atoms at the 3 and 8 positions, enhancing its utility in coordination chemistry and material science applications. With a molecular weight of 338.00 g/mol, it is a versatile ligand for transition metal complexes, particularly in catalysis and photophysical studies. The compound is supplied as a crystalline solid with ≥95% purity (HPLC), ensuring consistent performance in synthetic and analytical workflows. Ideal for researchers developing luminescent materials, electrochemical sensors, or supramolecular architectures.

Properties

• CAS Number: 100125-12-0
• Complexity: 235
• IUPAC Name: 3,8-dibromo-1,10-phenanthroline
• InChI: InChI=1S/C12H6Br2N2/c13-9-3-7-1-2-8-4-10(14)6-16-12(8)11(7)15-5-9/h1-6H
• InChI Key: IDWJREBUVYSPKS-UHFFFAOYSA-N
• Exact Mass: 337.88772
• Molecular Formula: C12H6Br2N2
• Molecular Weight: 338.00
• SMILES: C1=CC2=CC(=CN=C2C3=NC=C(C=C31)Br)Br
• Topological: 25.8
• Monoisotopic Mass: 335.88977
• Synonyms: 3,8-dibromo-1,10-phenanthroline, 100125-12-0, 845-981-3, 3,8-DIBROMOPHENANTHROLINE, 1,10-Phenanthroline, 3,8-dibromo-, MFCD09909860, NoName_3838, YSWG167, SCHEMBL557234, DTXSID10903215, 3,8-Dibromo-11,10-phenanthroline, AKOS015899955, CS-W004457, GS-4403, AC-24457, SY055291, D3209

Application

3,8-Dibromo-1,10-phenanthroline serves as a key building block for synthesizing photoactive metal-organic frameworks (MOFs) and coordination polymers. Its electron-withdrawing bromine substituents modify the electronic properties of phenanthroline-based ligands, enabling fine-tuning of emission spectra in luminescent materials. The compound is also employed in cross-coupling reactions (e.g., Suzuki-Miyaura) to construct extended π-conjugated systems for organic electronics. In catalysis, it acts as a chelating agent for palladium and copper complexes in C-C bond-forming reactions.

Safety and Hazards

GHS Hazard Statements

• H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H400 (50%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (50%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (50%)
• Acute Tox. 4 (50%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2 (50%)
• Acute Tox. 4 (50%)
• STOT SE 3 (50%)
• Aquatic Acute 1 (50%)
• Aquatic Chronic 1 (50%)

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