Description

3-Bromo-5-chloroaniline (CAS No. 96558-78-0) is a high-purity halogenated aniline derivative with the molecular formula C₆H₅BrClN. This aromatic amine is a versatile intermediate in organic synthesis, featuring both bromo and chloro substituents on the benzene ring, which enhance its reactivity in cross-coupling reactions and electrophilic substitutions. Ideal for pharmaceutical, agrochemical, and materials science research, this compound is supplied as a crystalline solid with ≥98% purity (HPLC). Store under inert conditions at 2-8°C to ensure stability. Suitable for Suzuki-Miyaura couplings, Buchwald-Hartwig aminations, and other palladium-catalyzed transformations. Available in scalable quantities with batch-specific COA and NMR data.

Properties

• CAS Number: 96558-78-0
• Complexity: 99.1
• IUPAC Name: 3-bromo-5-chloro-aniline
• InChI: InChI=1S/C6H5BrClN/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
• InChI Key: YYBRLVWWPRAQDX-UHFFFAOYSA-N
• Exact Mass: 204.92939
• Molecular Formula: C6H5BrClN
• Molecular Weight: 206.47
• SMILES: C1=C(C=C(C=C1Cl)Br)N
• Topological: 26
• Monoisotopic Mass: 204.92939
• Synonyms: 3-bromo-5-chloroaniline, 96558-78-0, DTXSID80914459, DTXCID101343450, 696-451-1, 3-Bromo-5-chlorophenylamine, 3-bromo-5-chlorobenzenamine, 3-bromo-5-chloro-phenylamine, MFCD06797804, Benzenamine, 3-bromo-5-chloro-, SCHEMBL739226, 3-bromanyl-5-chloranyl-aniline, YYBRLVWWPRAQDX-UHFFFAOYSA-N, CL8998, SBB093732, AKOS005258641, AB29734, CS-W019345, GS-4391, AC-28547, SY109791, DB-011147, EN300-105790, A845611

Application

3-Bromo-5-chloroaniline is a key building block in the synthesis of active pharmaceutical ingredients (APIs) and specialty chemicals. Its dual halogen functionality enables selective functionalization for drug discovery, particularly in kinase inhibitor development. The compound is also used in agrochemical research to create novel herbicides and pesticides. Researchers leverage its reactivity in palladium-catalyzed cross-couplings to construct complex heterocycles.

Safety and Hazards

GHS Hazard Statements

• H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (25%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (25%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (25%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (25%)
• Acute Tox. 4 (75%)
• Acute Tox. 3 (25%)
• Acute Tox. 4 (50%)
• Skin Corr. 1B (25%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2 (50%)
• Acute Tox. 3 (25%)
• Acute Tox. 4 (50%)

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