Description

3-Chloro-2-fluorobenzaldehyde (CAS: 85070-48-0) is a high-purity fluorinated and chlorinated benzaldehyde derivative, widely utilized in pharmaceutical, agrochemical, and materials science research. With the molecular formula C₇H₄ClFO, this compound serves as a versatile intermediate for synthesizing complex organic molecules, including active pharmaceutical ingredients (APIs) and specialty chemicals. Its unique halogenated structure enables selective reactivity in cross-coupling reactions, nucleophilic substitutions, and other key transformations. Available at 96% purity, this reagent is rigorously tested for consistency and performance, ensuring reliable results in demanding synthetic applications. Ideal for researchers requiring precise functionalization of aromatic systems.

Properties

• CAS Number: 85070-48-0
• Complexity: 129
• IUPAC Name: 3-chloro-2-fluoro-benzaldehyde
• InChI: InChI=1S/C7H4ClFO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H
• InChI Key: YAOZCMANASAVFN-UHFFFAOYSA-N
• Exact Mass: 157.9934706
• Molecular Formula: C7H4ClFO
• Molecular Weight: 158.56
• SMILES: C1=CC(=C(C(=C1)Cl)F)C=O
• Topological: 17.1
• Monoisotopic Mass: 157.9934706
• Synonyms: 3-Chloro-2-fluorobenzaldehyde, 85070-48-0, YAOZCMANASAVFN-UHFFFAOYSA-, DTXSID80352998, DTXCID70304062, 617-667-4, inchi=1/c7h4clfo/c8-6-3-1-2-5(4-10)7(6)9/h1-4h, 2-Fluoro-3-chlorobenzaldehyde, MFCD01631571, Benzaldehyde, 3-chloro-2-fluoro-, 2-fluoro-3-chloro-benzaldehyde, 2-fluoro(chloro)benzaldehyde, SCHEMBL223411, 3-chloro-2-fluoro-benzaldehyde, SCHEMBL2045854, 3-chloro-2-fluoro-benzoaldehyde, YAOZCMANASAVFN-UHFFFAOYSA-N, BBL036949, SBB003987, STL559995, 3-Chloro-2-fluorobenzaldehyde, 96%, AKOS005063858, AB09379, AC-2299, CS-W009101, FC64003, PS-8800, BP-13336, SY014950, DB-024266, C2127, NS00126818, ST50824717, EN300-98637, Z1203161792

3-Chloro-2-fluorobenzaldehyde is primarily employed as a building block in medicinal chemistry for the development of fluorinated drug candidates. It facilitates the synthesis of bioactive compounds targeting CNS disorders and antimicrobial agents. In material science, it acts as a precursor for liquid crystals and advanced polymers. Its dual halogen functionality also makes it valuable in palladium-catalyzed cross-coupling reactions (e.g., Suzuki-Miyaura).

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 (97.9%): 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. 2 (100%)
• STOT SE 3 (97.9%)

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