Description

2,6-Dibromo-4-nitrotoluene (CAS No. 110127-07-6) is a high-purity brominated aromatic compound with the molecular formula C₇H₅Br₂NO₂ and IUPAC name 1,3-dibromo-2-methyl-5-nitrobenzene. This yellow crystalline solid is a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty dyes. With a molecular weight of 294.93 g/mol, it exhibits excellent stability under standard laboratory conditions. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in sealed amber vials to prevent degradation. Ideal for nucleophilic substitution reactions, coupling reactions, and as a precursor for heterocyclic compounds. Available in gram to kilogram quantities with customizable packaging options.

Properties

• CAS Number: 110127-07-6
• Complexity: 171
• IUPAC Name: 1,3-dibromo-2-methyl-5-nitro-benzene
• InChI: InChI=1S/C7H5Br2NO2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,1H3
• InChI Key: HGDQAFSQPJJIFA-UHFFFAOYSA-N
• Exact Mass: 294.86665
• Molecular Formula: C7H5Br2NO2
• Molecular Weight: 294.93
• SMILES: CC1=C(C=C(C=C1Br)[N+](=O)[O-])Br
• Topological: 45.8
• Monoisotopic Mass: 292.86870
• Synonyms: 2,6-DIBROMO-4-NITROTOLUENE, DTXSID20426763, DTXCID50377597, 110127-07-6, hgdqafsqpjjifa-uhfffaoysa-n, 1,3-dibromo-2-methyl-5-nitrobenzene, 101581-06-0, Benzene, 1,3-dibromo-2-methyl-5-nitro-, MFCD00151807, SCHEMBL1362507, AKOS024287557, 1,3-Dibromo-2-methyl-5-nitro-benzene, s11190, AS-63668, DA-16353, DB-040900, CS-0195193, ST50408774

Application

2,6-Dibromo-4-nitrotoluene serves as a key building block in medicinal chemistry for the synthesis of bioactive molecules targeting inflammatory pathways. In material science, it’s utilized as a precursor for brominated flame retardants and liquid crystal intermediates. The compound’s electron-withdrawing nitro and bromo groups make it particularly valuable in palladium-catalyzed cross-coupling reactions for constructing complex aromatic systems.

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 (100%): 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

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