Description

Benzene, 1-iodo-4-(trifluoromethyl)- (CAS No. 455-13-0) is a high-purity aromatic compound with the molecular formula C₇H₄F₃I. This specialized chemical is widely utilized in organic synthesis, pharmaceutical research, and material science due to its trifluoromethyl and iodine functional groups, which enhance reactivity and selectivity in cross-coupling reactions. Available in stabilized form with copper chips to prevent degradation, this product is ideal for advanced applications requiring precise molecular modifications. Packaged under inert conditions to ensure stability and longevity, it meets rigorous industry standards for purity (>97%) and consistency.

Properties

• CAS Number: 455-13-0
• Complexity: 124
• IUPAC Name: 1-iodo-4-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H
• InChI Key: SKGRFPGOGCHDPC-UHFFFAOYSA-N
• Exact Mass: 271.93098
• Molecular Formula: C7H4F3I
• Molecular Weight: 272.01
• SMILES: C1=CC(=CC=C1C(F)(F)F)I
• Monoisotopic Mass: 271.93098
• Synonyms: 4-Iodobenzotrifluoride, 1-Iodo-4-(trifluoromethyl)benzene, p-Iodobenzotrifluoride, Benzene, 1-iodo-4-(trifluoromethyl)-, EINECS 207-234-4, SKGRFPGOGCHDPC-UHFFFAOYSA-, inchi=1/c7h4f3i/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4h, 455-13-0, 4-(Trifluoromethyl)iodobenzene, 4-Iodo-alpha,alpha,alpha-trifluorotoluene, alpha,alpha,alpha-Trifluoro-4-iodotoluene, MFCD00039398, 4-Iodobenzotrifluoride (stabilized with Copper chip), ,,-trifluoro-4-iodotoluene, 4-trifluoromethyl-1-iodobenzene, 4-iodobenzo trifluoride, p-trifluoromethyliodobenzene, 4-Trifluoromethyliodobenzene, SCHEMBL1616, QM9YCH292P, 4-iodo-trifluoromethylbenzene, 4-trifluoromethyl-iodobenzene, 4-trifluoromethylphenyl iodide, 4-Iodobenzotrifluoride, 97%, p-(Trifluoromethyl)iodobenzene, 4-Iodo(trifluoromethyl)benzene, 1-iodo-4-trifluoromethylbenzene, 1-Trifluoromethyl-4-iodobenzene, DTXSID0060012, SCHEMBL15353345, SCHEMBL16959676, 4-(Trifluoromethyl)phenyl iodide, 1-Iodo-4-trifluoromethyl-benzene, HZVIMVKZPPCUDT-UHFFFAOYSA-N, 4-Iodo-1-(trifluoromethyl)benzene, 1-Iodo-4-(trifluoromethyl)benzene #, AKOS005063756, AB01779, AC-4144, CS-W004060, FI64595, lpha,alpha,alpha-Trifluoro-4-iodotoluene, AS-11623, SY013671, A7165, I0550, NS00044051, Toluene, alpha,alpha,alpha-trifluoro-p-iodo-, EN300-202273, 4-IODOBENZOTRIFLUORIDE(STABILIZED WITH COPPER CHIP), 4-Iodo-alpha,alpha,alpha-trifluorotoluene, 1-Iodo-4-(trifluoromethyl)benzene

This compound is extensively used as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. It serves as a versatile building block in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions. Researchers also employ it in the development of liquid crystals and advanced polymers due to its unique electronic properties. Its stability and reactivity make it suitable for high-throughput screening in drug discovery.

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 (98.4%): 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 (98.4%)

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