Description

2-Chloro-3,6-difluorobenzaldehyde (CAS No. 261762-39-4) is a high-purity fluorinated benzaldehyde derivative with the molecular formula C₇H₃ClF₂O. This aromatic aldehyde features a chloro substituent at the 2-position and fluoro groups at the 3- and 6-positions, making it a versatile intermediate for synthetic organic chemistry and pharmaceutical research. Its unique electronic and steric properties enable selective functionalization in cross-coupling reactions, nucleophilic substitutions, and as a precursor for heterocyclic scaffolds. Supplied as a crystalline solid with ≥95% purity (HPLC), it is rigorously tested for consistency in melting point, NMR, and LC-MS profiles. Ideal for controlled atmosphere handling due to moisture sensitivity. Packaged in amber glass vials under inert gas to ensure stability.

Properties

• CAS Number: 261762-39-4
• Complexity: 153
• IUPAC Name: 2-chloro-3,6-difluoro-benzaldehyde
• InChI: InChI=1S/C7H3ClF2O/c8-7-4(3-11)5(9)1-2-6(7)10/h1-3H
• InChI Key: KPYBGKSDBNMHTO-UHFFFAOYSA-N
• Exact Mass: 175.9840487
• Molecular Formula: C7H3ClF2O
• Molecular Weight: 176.55
• SMILES: C1=CC(=C(C(=C1F)C=O)Cl)F
• Topological: 17.1
• Monoisotopic Mass: 175.9840487
• Synonyms: 2-Chloro-3,6-difluorobenzaldehyde, 261762-39-4, DTXSID90378508, DTXCID90329535, 625-803-9, Benzaldehyde, 2-chloro-3,6-difluoro-, MFCD01631443, SCHEMBL488952, KPYBGKSDBNMHTO-UHFFFAOYSA-N, 2-chloro-3,6-difluoro-benzaldehyde, BBL100391, SBB003776, STL554185, AKOS005254410, CS-W017393, 2-Chloro-3,6-difluorobenzaldehyde, 96%, BP-30050, DS-14143, SY061870, 2-chloranyl-3,6-bis(fluoranyl)benzaldehyde, DB-046861, Benzaldehyde, 2-?chloro-?3,?6-?difluoro-, ST50825092, EN300-313714, A818249, Z1203161782

Application

2-Chloro-3,6-difluorobenzaldehyde serves as a key building block in agrochemical and pharmaceutical synthesis, particularly for introducing difluorobenzyl motifs into active compounds. Its aldehyde group facilitates condensation reactions to form Schiff bases or heterocycles like quinazolines. Researchers utilize it in palladium-catalyzed cross-couplings to construct biaryl systems in drug discovery. The electron-withdrawing halogen pattern enhances reactivity in nucleophilic aromatic substitutions (S_NAr).

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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