Description

1-Nitro-3-(trifluoromethoxy)benzene (CAS No. 2995-45-1) is a high-purity aromatic compound with the molecular formula C₇H₄F₃NO₃. This specialized chemical features a nitro group and a trifluoromethoxy group attached to a benzene ring, making it a valuable intermediate in organic synthesis and pharmaceutical research. With a molecular weight of 207.11 g/mol, it is characterized by its stability and reactivity under controlled conditions. Ideal for researchers and scientists, this compound is supplied in sealed containers to ensure integrity and longevity. Suitable for use in advanced chemical applications, including fluorination reactions and the development of novel agrochemicals or pharmaceuticals.

Properties

• CAS Number: 2995-45-1
• Complexity: 213
• IUPAC Name: 1-nitro-3-(trifluoromethoxy)benzene
• InChI: InChI=1S/C7H4F3NO3/c8-7(9,10)14-6-3-1-2-5(4-6)11(12)13/h1-4H
• InChI Key: QBWJNDOQIAARBT-UHFFFAOYSA-N
• Exact Mass: 207.01432748
• Molecular Formula: C7H4F3NO3
• Molecular Weight: 207.11
• SMILES: C1=CC(=CC(=C1)OC(F)(F)F)[N+](=O)[O-]
• Topological: 55.1
• Monoisotopic Mass: 207.01432748
• Synonyms: 1-nitro-3-(trifluoromethoxy)benzene, 671-695-1, 2995-45-1, 3-(trifluoromethoxy)nitrobenzene, MFCD00041011, M-nitrotrifluoromethoxybenzene, Benzene, 1-nitro-3-(trifluoromethoxy)-, 3-trifluoromethoxy nitrobenzene, SCHEMBL1130974, SCHEMBL3278019, SCHEMBL6601885, SCHEMBL16953255, DTXSID50380460, SBB063428, AKOS005145716, AC-9727, CS-W015278, DS-14602, SY017134, DB-023878, N0884, ST51041559

Application

1-Nitro-3-(trifluoromethoxy)benzene is primarily used as a key intermediate in the synthesis of fluorinated organic compounds. Its unique structure makes it valuable in pharmaceutical research for developing bioactive molecules. Additionally, it serves as a precursor in agrochemical production, particularly for compounds requiring trifluoromethoxy functionalities. Researchers also utilize it in material science for designing advanced polymers and coatings.

Safety and Hazards

GHS Hazard Statements

• H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (66.7%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (66.7%)
• Acute Tox. 4 (66.7%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (66.7%)
• STOT SE 3 (66.7%)

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