Description
3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde (CAS No. 261763-02-4) is a high-purity fluorinated aromatic aldehyde with the molecular formula C8H3ClF4O. This compound is a versatile building block in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty materials. Its unique structure, featuring chloro, fluoro, and trifluoromethyl substituents, enables precise reactivity for cross-coupling reactions, nucleophilic substitutions, and other transformations. Suitable for researchers and industrial applications, this product is rigorously tested for purity and consistency, ensuring optimal performance in synthetic workflows. Available in various quantities with detailed analytical data (GC/MS, NMR, HPLC) upon request.
Properties
- CAS Number: 261763-02-4
- Complexity: 218
- IUPAC Name: 3-chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde
- InChI: InChI=1S/C8H3ClF4O/c9-6-2-5(8(11,12)13)1-4(3-14)7(6)10/h1-3H
- InChI Key: MSZTVIFIFJCNRQ-UHFFFAOYSA-N
- Exact Mass: 225.9808551
- Molecular Formula: C8H3ClF4O
- Molecular Weight: 226.55
- SMILES: C1=C(C=C(C(=C1C=O)F)Cl)C(F)(F)F
- Topological: 17.1
- Monoisotopic Mass: 225.9808551
- Synonyms: 3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde, 261763-02-4, DTXSID40352999, DTXCID30304063, 620-648-3, Benzaldehyde, 3-chloro-2-fluoro-5-(trifluoromethyl)-, MFCD01631510, 3-chloro-2-fluoro-5-trifluoromethyl-benzaldehyde, SCHEMBL660134, SBB003313, AKOS015848532, FC91607, PS-7761, SY061847, DB-046872, CS-0102171, ST50826946, 3-Chloro-2-fluoro-5-trifluoromethylbenzaldehyde, 3-chloro-5-trifluoromethyl-2-fluorobenzaldehyde, 3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde, 96%, 5-Chloro-6,alpha,alpha,alpha-tetrafluoro-m-tolualdehyde, 3-Chloro-2-fluoro-5-trifluoromethylbenzaldehyde;5-Chloro-6,alphaalphaalpha-tetrafluoro m-tolualdehyde
Application
3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde is widely used as a key intermediate in the synthesis of bioactive molecules, including pharmaceutical candidates and agrochemicals. Its electron-deficient aromatic ring facilitates selective functionalization, making it valuable for constructing complex heterocycles or fluorinated scaffolds. The compound is also employed in materials science for developing liquid crystals and advanced polymers with tailored properties. Researchers leverage its reactivity in Pd-catalyzed cross-coupling reactions to introduce fluorinated motifs into target structures.
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. 2 (100%)
- STOT SE 3 (100%)
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