Description

2-(4-Bromophenoxy)acetic acid (CAS No. 1878-91-7) is a high-purity brominated aromatic compound with the molecular formula C₈H₇BrO₃. This white to off-white crystalline powder is a versatile intermediate in organic synthesis, particularly in the preparation of phenoxy herbicides and pharmaceutical building blocks. With a molecular weight of 231.05 g/mol, it offers excellent reactivity for nucleophilic substitution and coupling reactions. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in amber glass bottles under inert atmosphere to prevent degradation. Ideal for researchers in agrochemical and medicinal chemistry, this compound is characterized by ¹H NMR, ¹³C NMR, and FT-IR spectroscopy for batch-to-batch consistency. Store at 2-8°C in a dry environment.

Properties

• CAS Number: 1878-91-7
• Complexity: 152
• IUPAC Name: 2-(4-bromophenoxy)acetic acid
• InChI: InChI=1S/C8H7BrO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
• InChI Key: SZEBGAQWWSUOHT-UHFFFAOYSA-N
• Exact Mass: 229.95786
• Molecular Formula: C8H7BrO3
• Molecular Weight: 231.04
• SMILES: C1=CC(=CC=C1OCC(=O)O)Br
• Topological: 46.5
• Monoisotopic Mass: 229.95786
• Synonyms: 2-(4-bromophenoxy)acetic acid, (4-Bromophenoxy)acetic acid, Acetic acid, 2-(4-bromophenoxy)-, p-Bromophenoxyacetate, p-Bromophenoxyacetic acvid, Acetic acid, (p-bromophenoxy)-, EINECS 217-530-5, NSC 65085, Acetic acid, (p-bromophenoxy)-(8CI), 217-530-5, 1878-91-7, 4-Bromophenoxyacetic acid, p-Bromophenoxyacetic acid, Acetic acid, (4-bromophenoxy)-, MFCD00093070, QM8SNH9TP7, NSC-65085, 4-BromophenoxyaceticAcid, p-Bromophenoxyaceticacid, Enamine_001972, UNII-QM8SNH9TP7, 4-bromo-phenoxyacetic acid, (p-Bromophenoxy)acetic acid, 4-BPA, NCIOpen2_002928, CBDivE_002657, (4-Bromophenoxy)ethanoic acid, SCHEMBL653251, (4-Bromo-phenoxy)-acetic acid, CHEMBL173307, DTXSID2062034, 4-Bromophenoxyacetic acid, 95%, SZEBGAQWWSUOHT-UHFFFAOYSA-, HMS1399J14, ALBB-000805, NSC65085, SBB004535, STK025581, AKOS000264432, LS-01092, ST039638, SY012298, DB-044659, B2746, CS-0130302, NS00026147, EN300-08078, A50579, Z56812736, 4-Bromophenoxyacetic acid 100 microg/mL in Acetonitrile, F1924-0026, InChI=1/C8H7BrO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

Application

2-(4-Bromophenoxy)acetic acid serves as a key precursor in synthetic organic chemistry, particularly for developing plant growth regulators analogous to auxin hormones. Researchers utilize this compound to create novel phenoxy herbicide derivatives with enhanced selectivity. In pharmaceutical applications, it acts as a scaffold for designing COX-2 inhibitors and other bioactive molecules. The bromine moiety enables further functionalization via palladium-catalyzed cross-coupling reactions.

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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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