Description

3-Fluoro-4-(trifluoromethoxy)benzaldehyde (CAS No. 473917-15-6) is a high-purity fluorinated aromatic aldehyde with the molecular formula C₈H₄F₄O₂. This compound is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research, due to its unique trifluoromethoxy and fluoro substituents. It is characterized by its excellent reactivity in nucleophilic addition reactions, reductive amination, and as a precursor for heterocyclic compounds. Available in >98% purity (GC), it is supplied in rigorously tested batches to ensure consistency for critical applications. Proper storage under inert conditions is recommended to maintain stability.

Properties

• CAS Number: 473917-15-6
• Complexity: 204
• IUPAC Name: 3-fluoro-4-(trifluoromethoxy)benzaldehyde
• InChI: InChI=1S/C8H4F4O2/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-4H
• InChI Key: RQLRUBHAAVGRPW-UHFFFAOYSA-N
• Exact Mass: 208.01474201
• Molecular Formula: C8H4F4O2
• Molecular Weight: 208.11
• SMILES: C1=CC(=C(C=C1C=O)F)OC(F)(F)F
• Topological: 26.3
• Monoisotopic Mass: 208.01474201
• Synonyms: 3-fluoro-4-(trifluoromethoxy)benzaldehyde, 473917-15-6, DTXSID50382606, DTXCID30333631, 676-487-4, MFCD06660201, 3-fluoro-4-trifluoromethoxybenzaldehyde, SCHEMBL584601, SBB052158, AKOS005256240, SB85379, AS-33057, SY227933, DB-070798, CS-0084288, 3-fluoro-4-(trifluoromethoxy)benzaldehyde, AldrichCPR

3-Fluoro-4-(trifluoromethoxy)benzaldehyde is widely used as an intermediate in the synthesis of bioactive molecules, including potential drug candidates targeting CNS disorders. Its fluorinated structure enhances metabolic stability, making it valuable in medicinal chemistry. The compound also serves as a key precursor for liquid crystal materials and specialty polymers. Researchers utilize it in cross-coupling reactions and as a scaffold for fluorinated heterocycles.

Safety and Hazards

GHS Hazard Statements

• H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H411 (16.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (33.3%)
• Acute Tox. 4 (16.7%)
• Skin Irrit. 2 (83.3%)
• Eye Irrit. 2 (83.3%)
• Acute Tox. 4 (16.7%)
• STOT SE 3 (83.3%)
• Aquatic Chronic 2 (16.7%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.