Description

1-Methyl-3-(1,1,2,2-tetrafluoroethoxy)benzene (CAS No. 1737-10-6) is a high-purity fluorinated aromatic compound with the molecular formula C₉H₈F₄O. This specialty chemical is characterized by its unique tetrafluoroethoxy functional group attached to a toluene backbone, making it a valuable intermediate in advanced organic synthesis and material science applications. The compound is supplied as a clear, colorless to pale yellow liquid with a defined purity grade suitable for research and industrial use. Its well-defined structure and reactivity profile make it ideal for use in pharmaceuticals, agrochemicals, and liquid crystal formulations. Proper handling under inert conditions is recommended due to its sensitivity to moisture and air.

Properties

• CAS Number: 1737-10-6
• Complexity: 184
• IUPAC Name: 1-methyl-3-(1,1,2,2-tetrafluoroethoxy)benzene
• InChI: InChI=1S/C9H8F4O/c1-6-3-2-4-7(5-6)14-9(12,13)8(10)11/h2-5,8H,1H3
• InChI Key: LZZXOCVBAKJDOO-UHFFFAOYSA-N
• Exact Mass: 208.05112752
• Molecular Formula: C9H8F4O
• Molecular Weight: 208.15
• SMILES: CC1=CC(=CC=C1)OC(C(F)F)(F)F
• Topological: 9.2
• Monoisotopic Mass: 208.05112752
• Synonyms: 1-methyl-3-(1,1,2,2-tetrafluoroethoxy)benzene, 3-(Tetrafluoroethoxy)toluene, Benzene, 1-methyl-3-(1,1,2,2-tetrafluoroethoxy)-, EINECS 217-085-7, 1737-10-6, 3-(1,1,2,2-Tetrafluoroethoxy)toluene, 1,1,2,2-Tetrafluoroethyl-3-Methylphenyl Ether, alpha,alpha,beta,beta-Tetrafluoro-m-methylphenetole, MFCD00042104, SCHEMBL3278206, SCHEMBL5672060, DTXSID2061935, SBB093992, AKOS003630629, DB-043954, NS00046788, 1,1,2,2-tetrafluoro-1-(3-methylphenoxy)ethane

Application

1-Methyl-3-(1,1,2,2-tetrafluoroethoxy)benzene is primarily used as a fluorinated building block in the synthesis of advanced materials and bioactive molecules. Its tetrafluoroethoxy group enhances lipophilicity and metabolic stability, making it valuable in pharmaceutical research for drug design. The compound is also employed in the development of specialty polymers and liquid crystal displays (LCDs) due to its unique electronic properties. Researchers utilize it as a precursor in organofluorine chemistry to introduce fluorinated motifs into complex molecules.

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 (100%): 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 (100%)

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