Description

4,5-Dibromobenzene-1,2-diamine (CAS No. 49764-63-8) is a high-purity aromatic diamine compound with the molecular formula C₆H₆Br₂N₂. This specialized chemical features two bromine substituents at the 4 and 5 positions and two amine groups at the 1 and 2 positions on the benzene ring, making it a valuable intermediate for organic synthesis and material science applications. The compound is supplied as a crystalline solid with ≥95% purity (HPLC), ensuring consistency for research and industrial use. Ideal for use in Suzuki coupling reactions, polymerization processes, and as a precursor for heterocyclic compound synthesis. Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability.

Properties

• CAS Number: 49764-63-8
• Complexity: 106
• IUPAC Name: 4,5-dibromobenzene-1,2-diamine
• InChI: InChI=1S/C6H6Br2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2
• InChI Key: TTXGKCVKGXHPRI-UHFFFAOYSA-N
• Exact Mass: 265.88772
• Molecular Formula: C6H6Br2N2
• Molecular Weight: 265.93
• SMILES: C1=C(C(=CC(=C1Br)Br)N)N
• Topological: 52
• Monoisotopic Mass: 263.88977
• Synonyms: 4,5-Dibromobenzene-1,2-diamine, 49764-63-8, DTXSID30480013, DTXCID00430823, 691-495-8, 4,5-Dibromo-1,2-phenylenediamine, MFCD00795598, 4,5-dibromo-o-phenylenediamine, 1,2-Diamino-4,5-dibromobenzene, 1,2-Benzenediamine, 4,5-dibromo-, SCHEMBL2244271, TTXGKCVKGXHPRI-UHFFFAOYSA-N, AKOS015919761, CS-W018726, GS-3843, AC-27964, FD140093, SY023194, DB-071048, D4062, EN300-399871, 10.14272/TTXGKCVKGXHPRI-UHFFFAOYSA-N.1, doi:10.14272/TTXGKCVKGXHPRI-UHFFFAOYSA-N.1, doi:10.14272/TTXGKCVKGXHPRI-UHFFFAOYSA-N.2, doi:10.14272/TTXGKCVKGXHPRI-UHFFFAOYSA-N.3

Application

4,5-Dibromobenzene-1,2-diamine serves as a key building block in pharmaceutical research for the synthesis of benzimidazole derivatives with potential biological activity. In materials science, it is utilized as a monomer for conductive polymers and thermally stable polybenzimidazoles. The compound’s bromine substituents also make it valuable for palladium-catalyzed cross-coupling reactions in advanced organic synthesis.

Safety and Hazards

GHS Hazard Statements

• H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (20%)
• Acute Tox. 4 (80%)
• Acute Tox. 4 (20%)
• Skin Irrit. 2 (100%)
• Skin Sens. 1 (20%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (20%)
• STOT SE 3 (40%)

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