Description

2-Bromo-5-methylaniline (CAS No. 53078-85-6) is a high-purity aromatic amine compound with the molecular formula C₇H₈BrN. This halogenated aniline derivative features a bromine substituent at the ortho position and a methyl group at the meta position relative to the amino functional group, making it a valuable intermediate in organic synthesis and pharmaceutical research. The compound is supplied as a crystalline solid with ≥98% purity (GC), ensuring optimal performance in sensitive applications. Suitable for use in Suzuki couplings, Buchwald-Hartwig aminations, and other palladium-catalyzed cross-coupling reactions. Store under inert atmosphere at 2-8°C to maintain stability.

Key Specifications:
– Molecular Weight: 186.05 g/mol
– Melting Point: 45-48°C
– Boiling Point: 245-247°C
– Density: 1.49 g/cm³
– Hazard Codes: Xi (Irritant)

Properties

• CAS Number: 53078-85-6
• Complexity: 94.9
• IUPAC Name: 2-bromo-5-methyl-aniline
• InChI: InChI=1S/C7H8BrN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
• InChI Key: QTAQWOXSUFGGKH-UHFFFAOYSA-N
• Exact Mass: 184.98401
• Molecular Formula: C7H8BrN
• Molecular Weight: 186.05
• SMILES: CC1=CC(=C(C=C1)Br)N
• Topological: 26
• Monoisotopic Mass: 184.98401
• Synonyms: 2-Bromo-5-methylaniline, 53078-85-6, 628-662-1, 2-Bromo-5-methylbenzenamine, 2-bromo-5-methylphenylamine, 53078-35-6, Benzenamine, 2-bromo-5-methyl-, 2-bromo-5-methyl-phenylamine, MFCD01806278, 2-BROMO-5-METHYL ANILINE, 3-AMINO-4-BROMOTOLUENE, 2-bromo-5-methyl-aniline, 6-BROMO-M-TOLUIDINE, SCHEMBL178557, SCHEMBL4827510, 2-Bromo-5-methylaniline, 97%, AKOS005133614, AB09930, AC-3717, CS-W007555, FB16139, PS-5668, SY019865, DB-024111, B4507, ST51042385, EN300-54643

Application

2-Bromo-5-methylaniline serves as a versatile building block in medicinal chemistry for the synthesis of biologically active molecules, particularly in the development of kinase inhibitors and antimicrobial agents. Its bromine moiety enables efficient functionalization via metal-catalyzed cross-coupling reactions, while the electron-donating amino group facilitates electrophilic aromatic substitutions. The compound is also employed in materials science for creating functionalized polymers and liquid crystals.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)

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