Description

1-(3-Chloropropoxy)-4-fluorobenzene (CAS No. 1716-42-3) is a high-purity organic compound with the molecular formula C₉H₁₀ClFO. This specialized chemical features a fluorobenzene core substituted with a 3-chloropropoxy group, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. With a molecular weight of 188.63 g/mol, this compound is characterized by its clear to pale yellow appearance and is typically supplied as a liquid at room temperature. It is rigorously quality-controlled to ensure consistency for research applications, and its structural features make it suitable for further functionalization via nucleophilic substitution or coupling reactions. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 1716-42-3
• Complexity: 113
• IUPAC Name: 1-(3-chloropropoxy)-4-fluoro-benzene
• InChI: InChI=1S/C9H10ClFO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5H,1,6-7H2
• InChI Key: DFFWYMMOMUTKOI-UHFFFAOYSA-N
• Exact Mass: 188.0404208
• Molecular Formula: C9H10ClFO
• Molecular Weight: 188.62
• SMILES: C1=CC(=CC=C1OCCCCl)F
• Topological: 9.2
• Monoisotopic Mass: 188.0404208
• Synonyms: 1-(3-Chloropropoxy)-4-fluorobenzene, 1716-42-3, EINECS 217-000-3, DFFWYMMOMUTKOI-UHFFFAOYSA-, DTXSID50169136, DTXCID2091627, 217-000-3, inchi=1/c9h10clfo/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5h,1,6-7h2, 3-(4-Fluorophenoxy)propyl Chloride, MFCD00018986, 3-chloro-1-(4-fluorophenoxy)propane, Benzene, 1-(3-chloropropoxy)-4-fluoro-, 1-(3-chloro-propoxy)-4-fluorobenzene, 1-chloro-3-(4-fluorophenoxy)-propane, 3-(4-Fluorophenoxy)propyl chloride, 1-chloro-3-(4-fluorophenoxy)-propane, 1-(3-chloropropoxy)-4-fluoro-benzene, SCHEMBL167606, SCHEMBL9721748, 3-(4-Fluorophenosy)propylchloride, 1-(3-chloropropoxy)-4-fluorobezene, BBL013473, SBB003674, STL142574, 1-chloro-3-(4-fluorophenoxy)propane, 4-(3-chloropropoxy)-1-fluorobenzene, 1-chloro-3-(p-fluorophenoxy)-propane, AKOS000121382, 3-chloro-1-(4-fluorobenzenoxy)propane, CS-W015984, DS-16387, DB-027258, 1-(3-Chloropropoxy)-4-fluorobenzene, 97%, C1969, NS00047673, ST50827134, 1-CHLORO-3-(4-FLUOROPHENOXY) PROPANE, EN300-16643, D77782, Z56347250, 1-(4-Fluorophenoxy)-3-chloropropane; 3-(4-Fluorophenoxy)propylchloride

Application

1-(3-Chloropropoxy)-4-fluorobenzene is primarily utilized as a versatile building block in medicinal chemistry and materials science. Researchers employ this compound in the synthesis of fluorinated aromatic ethers, which are key motifs in drug discovery and agrochemical development. Its reactive chloropropoxy group enables facile conjugation with nucleophiles, making it useful for linker chemistry in bioconjugation and polymer synthesis. Additionally, it serves as a precursor for advanced intermediates in the preparation of liquid crystals and specialty coatings.

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 (85.7%): 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 (85.7%)

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