Atomfair 2-Bromo-4-fluoroaniline C6H5BrFN CAS 1003-98-1

Description

2-Bromo-4-fluoroaniline (CAS No. 1003-98-1) is a high-purity aromatic amine compound with the molecular formula C₆H₅BrFN. This halogenated aniline derivative is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive bromo and fluoro substituents. The compound is supplied as a light yellow to brown crystalline solid with a purity of ≥97%, ensuring consistency for demanding applications. Its molecular weight is 190.01 g/mol, and it exhibits a melting point range of 38-42°C. Proper storage under inert conditions (2-8°C) is recommended to maintain stability. This product is ideal for cross-coupling reactions, Suzuki-Miyaura couplings, and as a building block for agrochemicals, dyes, and bioactive molecules. Available in scalable quantities with comprehensive analytical data (GC/MS, NMR, HPLC) for quality assurance.

Properties

• CAS Number: 1003-98-1
• Complexity: 99.1
• IUPAC Name: 2-bromo-4-fluoro-aniline
• InChI: InChI=1S/C6H5BrFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
• InChI Key: YLMFXCIATJJKQL-UHFFFAOYSA-N
• Exact Mass: 188.95894
• Molecular Formula: C6H5BrFN
• Molecular Weight: 190.01
• SMILES: C1=CC(=C(C=C1F)Br)N
• Topological: 26
• Monoisotopic Mass: 188.95894
• Synonyms: 2-Bromo-4-fluoroaniline, YLMFXCIATJJKQL-UHFFFAOYSA-, DTXSID00287632, DTXCID00238780, 619-469-3, inchi=1/c6h5brfn/c7-5-3-4(8)1-2-6(5)9/h1-3h,9h2, 1003-98-1, BENZENAMINE, 2-BROMO-4-FLUORO-, 2-Bromo-4-fluorobenzenamine, 2-bromo-4-fluoro-aniline, MFCD00042462, EN300-35718, 2-bromo-4-fluorophenylamine, 2-BROMO-4-FLUORO-PHENYLAMINE, NSC51870, 2-bromo4-fluoroaniline, 2-bromo-4-fluoro aniline, SCHEMBL79046, 2-bromo-4-fluoro-Benzenamine, SCHEMBL21044779, 2-Bromo-4-fluoroaniline, 97%, BDBM626156, NSC-51870, SBB091028, STL169022, AKOS005145599, AC-3650, CS-W018523, PS-8402, DB-023672, B1829, ST50408548, F0001-0039, Z361887364

2-Bromo-4-fluoroaniline serves as a versatile intermediate in the synthesis of pharmaceuticals, particularly in the development of kinase inhibitors and antimicrobial agents. It is employed in palladium-catalyzed coupling reactions to construct complex heterocycles for drug discovery. Researchers also use it to modify polymer backbones for advanced materials. Its dual halogen functionality enables selective derivatization in multi-step organic transformations.

Safety and Hazards

GHS Hazard Statements

• H302 (18.8%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (89.6%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (18.8%)
• Acute Tox. 4 (16.7%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (16.7%)
• STOT SE 3 (89.6%)

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