Description

Xenalipin (CAS No. 84392-17-6) is a high-purity organic compound with the molecular formula C₁₄H₉F₃O₂, systematically named as 2-[4-(trifluoromethyl)phenyl]benzoic acid. This biphenyl derivative features a trifluoromethyl group at the para position of one phenyl ring and a carboxylic acid functional group on the ortho position of the adjacent benzene ring, making it a valuable intermediate in pharmaceutical and material science research. Xenalipin is supplied as a white to off-white crystalline powder with a purity of ≥98% (HPLC), ensuring consistency for sensitive applications. It is soluble in organic solvents such as DMSO, methanol, and ethanol but exhibits limited solubility in water. Proper storage conditions (2-8°C, desiccated) are recommended to maintain stability. Suitable for use in medicinal chemistry, drug discovery, and agrochemical research, this compound is rigorously tested via NMR, LC-MS, and elemental analysis to meet analytical standards.

Properties

• CAS Number: 84392-17-6
• Complexity: 319
• IUPAC Name: 2-[4-(trifluoromethyl)phenyl]benzoic acid
• InChI: InChI=1S/C14H9F3O2/c15-14(16,17)10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(18)19/h1-8H,(H,18,19)
• InChI Key: IQOMYCGTGFGDFN-UHFFFAOYSA-N
• Exact Mass: 266.05546401
• Molecular Formula: C14H9F3O2
• Molecular Weight: 266.21
• SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 266.05546401
• Synonyms: 84392-17-6, XENALIPIN, 2-[4-(trifluoromethyl)phenyl]benzoic acid, Xenalipine, 4′-(Trifluoromethyl)-2-biphenylcarboxylic acid, Xenalipina, Xenalipinum, BW 207U, Xenalipine [French], Xenalipinum [Latin], Xenalipina [Spanish], Xenalipin [USAN:INN], BW-207U, Xenalipin (USAN), DTXSID0046565, 4′-(Trifluoromethyl)[1,1′-biphenyl]-2-carboxylic acid, XENALIPIN [INN], XENALIPIN [USAN], 28W00I603X, (1,1′-Biphenyl)-2-carboxylic acid, 4′-(trifluoromethyl)-, 4′-Trifluoromethyl-2-biphenylcarboxylic acid, DTXCID8026565, [1,1′-BIPHENYL]-2-CARBOXYLIC ACID, 4′-(TRIFLUOROMETHYL)-, Xenalipinum (Latin), (1,1-BIPHENYL)-2-CARBOXYLIC ACID, 4-(TRIFLUOROMETHYL)-, 2-(4-(trifluoromethyl)phenyl)benzoic acid, 4′-(Trifluoromethyl)(1,1′-biphenyl)-2-carboxylic acid, 617-563-9, 4-(Trifluoromethyl)-2′-biphenylcarboxylic acid, 4′-(Trifluoromethyl)-[1,1′-biphenyl]-2-carboxylic acid, 4′-(Trifluoromethyl)biphenyl-2-carboxylic acid, 2-(4-Trifluoromethylphenyl)benzoic acid, 4′-Trifluoromethyl-biphenyl-2-carboxylic acid, MFCD00075353, NCGC00166227-01, 4′-Trifluoromethyl-2-biphenyl carboxylic acid, 4 inverted exclamation mark -(Trifluoromethyl)biphenyl-2-carboxylic Acid, CAS-84392-17-6, UNII-28W00I603X, Enamine_004143, SCHEMBL133087, 4′-(Trifluoromethyl)-[1,1′-biphenyl]-2-carboxylicacid, CHEMBL2104509, HMS1405M07, BCP19959, Tox21_112359, SBB069095, AKOS000118885, Tox21_112359_1, AB02871, PS-7314, NCGC00166227-02, HY-34781, SY024670, 4′-Trifluoromethyl-biphenyl-carboxylic acid, 4′-trifluoromethylbiphenyl-2-carboxylic acid, CS-0022404, NS00122322, ST50826016, T3231, EN300-16990, D06336, SR-01000944798, SR-01000944798-1, 4′-(trifluoromethyl)-1,1′-biphenyl-2-carboxylic acid, 4′-(trifluoromethyl)-1,1′-biphenyl-2carboxylic acid, 4′-(Trifluoromethyl)-2-biphenylcarboxylic acid, 97%, 4-‘(trifluoromethyl)-1,1’-biphenyl-2-carboxylic acid, BRD-K99506538-001-03-8, Q27254352, Z56854445

Application

Xenalipin serves as a key building block in the synthesis of bioactive molecules, particularly in the development of anti-inflammatory and anticancer agents due to its trifluoromethylphenyl moiety. Its biphenyl scaffold is utilized in ligand design for modulating protein-protein interactions. Researchers also employ it in material science to engineer fluorinated aromatic polymers with enhanced thermal stability. Additionally, it may act as a precursor for liquid crystal or OLED materials.

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 (85.7%): 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. 2A (100%)
• STOT SE 3 (85.7%)

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