Description

2,5-Difluorobenzaldehyde (CAS No. 2646-90-4) is a high-purity fluorinated aromatic aldehyde with the molecular formula C₇H₄F₂O. This compound is a valuable building block in organic synthesis, particularly in the pharmaceutical and agrochemical industries, due to its reactive aldehyde group and electron-withdrawing fluorine substituents. Its IUPAC name, 2,5-difluorobenzaldehyde, reflects its precise structural configuration. Available in >98% purity, this chemical is supplied as a clear to pale yellow liquid with a characteristic aromatic odor. Proper storage under inert conditions is recommended to prevent oxidation. Suitable for use in Grignard reactions, reductive amination, and as a precursor for heterocyclic compounds.

Properties

• CAS Number: 2646-90-4
• Complexity: 127
• IUPAC Name: 2,5-difluorobenzaldehyde
• InChI: InChI=1S/C7H4F2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
• InChI Key: VVVOJODFBWBNBI-UHFFFAOYSA-N
• Exact Mass: 142.02302107
• Molecular Formula: C7H4F2O
• Molecular Weight: 142.10
• SMILES: C1=CC(=C(C=C1F)C=O)F
• Topological: 17.1
• Monoisotopic Mass: 142.02302107
• Synonyms: 2,5-Difluorobenzaldehyde, 2646-90-4, VVVOJODFBWBNBI-UHFFFAOYSA-, DTXSID30181058, DTXCID40103549, 629-300-5, inchi=1/c7h4f2o/c8-6-1-2-7(9)5(3-6)4-10/h1-4h, vvvojodfbwbnbi-uhfffaoysa-n, Benzaldehyde, 2,5-difluoro-, MFCD00010327, 2,5-difluoro-benzaldehyde, 2,5 difluorobenzaldehyde, 2,5-difluoro benzaldehyde, SCHEMBL65723, SCHEMBL95486, SCHEMBL15066422, SCHEMBL15067625, SCHEMBL15068081, 2,5-Difluorobenzaldehyde, 98%, BCP24600, SBB006570, STK801356, AKOS005063941, AC-3834, CS-W001258, FD64014, PS-9012, SY005567, DB-023858, D2637, ST50823767, EN300-40957, F2190-0610, Z385369882

Application

2,5-Difluorobenzaldehyde is widely used as an intermediate in the synthesis of active pharmaceutical ingredients (APIs) and specialty chemicals. Its fluorinated aromatic structure makes it valuable for designing compounds with enhanced metabolic stability and bioavailability. Researchers utilize it in the development of agrochemicals, such as herbicides and fungicides, due to its ability to modulate biological activity. Additionally, it serves as a key precursor in materials science for creating fluorinated polymers and liquid crystals.

Safety and Hazards

GHS Hazard Statements

• H226 (98%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (98%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (98%)

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