Description
5-Bromo-2,4-difluorobenzaldehyde (CAS No. 473416-91-0) is a high-purity fluorinated aromatic aldehyde with the molecular formula C7H3BrF2O. This compound is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique structure, featuring both bromo and difluoro substituents on the benzaldehyde core, enables selective functionalization for the development of complex molecules. The product is supplied as a crystalline solid with ≥95% purity (HPLC), rigorously tested for consistency and stability. Ideal for nucleophilic aromatic substitution (SNAr), cross-coupling reactions, and as a precursor for heterocyclic compounds. Packaged under inert gas to ensure longevity and stored at 2-8°C to maintain optimal quality.
Properties
- CAS Number: 473416-91-0
- Complexity: 153
- IUPAC Name: 5-bromo-2,4-difluoro-benzaldehyde
- InChI: InChI=1S/C7H3BrF2O/c8-5-1-4(3-11)6(9)2-7(5)10/h1-3H
- InChI Key: UFNBTKFAPDUBCY-UHFFFAOYSA-N
- Exact Mass: 219.93353
- Molecular Formula: C7H3BrF2O
- Molecular Weight: 221.00
- SMILES: C1=C(C(=CC(=C1Br)F)F)C=O
- Topological: 17.1
- Monoisotopic Mass: 219.93353
- Synonyms: 5-Bromo-2,4-difluorobenzaldehyde, 473416-91-0, DTXSID40624022, DTXCID00574776, 965-603-1, MFCD09842439, 5-bromo-2,4-difluoro-benzaldehyde, SCHEMBL933374, UFNBTKFAPDUBCY-UHFFFAOYSA-N, AKOS022173692, CS-W005959, DS-3365, SY108866, DB-070792, BENZALDEHYDE, 5-BROMO-2,4-DIFLUORO, EN300-212921, Z1269243567
Application
5-Bromo-2,4-difluorobenzaldehyde is widely used as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and specialty chemicals. Its reactivity allows for the construction of fluorinated heterocycles, which are critical in drug discovery for improved metabolic stability and bioavailability. The compound is also employed in material science for developing liquid crystals and OLED materials. Researchers leverage its halogenated aromatic core for Suzuki-Miyaura and Buchwald-Hartwig coupling reactions.
Safety and Hazards
GHS Hazard Statements
- H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
- 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Hazard Classes and Categories
- Acute Tox. 4 (100%)
- Skin Irrit. 2 (100%)
- Eye Irrit. 2A (100%)
- STOT SE 3 (100%)
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