Description

1-(Dichloromethyl)-2-(trifluoromethyl)benzene (CAS No. 707-72-2) is a high-purity halogenated aromatic compound with the molecular formula C₈H₅Cl₂F₃. This specialty chemical is widely utilized in organic synthesis, pharmaceutical intermediates, and agrochemical research due to its unique reactivity imparted by the dichloromethyl and trifluoromethyl functional groups. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied as a clear, colorless to pale yellow liquid with a characteristic aromatic odor. It is packaged under inert gas in amber glass bottles or sealed drums to maintain stability and prevent degradation. Ideal for researchers in medicinal chemistry, this compound serves as a versatile building block for constructing complex fluorinated scaffolds. Technical data including NMR, HPLC, and MS spectra are available upon request. Store in a cool, dry place away from light and oxidizing agents.

Properties

• CAS Number: 707-72-2
• Complexity: 167
• IUPAC Name: 1-(dichloromethyl)-2-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H5Cl2F3/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4,7H
• InChI Key: JIJFXGFHPXLJME-UHFFFAOYSA-N
• Exact Mass: 227.9720400
• Molecular Formula: C8H5Cl2F3
• Molecular Weight: 229.02
• SMILES: C1=CC=C(C(=C1)C(Cl)Cl)C(F)(F)F
• Monoisotopic Mass: 227.9720400
• Synonyms: 707-72-2, 1-(Dichloromethyl)-2-(trifluoromethyl)benzene, EC 615-161-8, JIJFXGFHPXLJME-UHFFFAOYSA-, DTXSID80990950, DTXCID801418038, 615-161-8, inchi=1/c8h5cl2f3/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4,7h, 2-(Trifluoromethyl)benzal Chloride, 2-(Trifluoromethyl)benzal Chloride ,, MFCD00077613, o-trifluoromethylbenzal chloride, 2-(Dichloromethyl)benzotrifluoride, Benzene,1-(dichloromethyl)-2-(trifluoromethyl)-, o-trifluoromethylbenzalchloride, SCHEMBL6564259, SCHEMBL17238700, SBB097377, AKOS026749750, SY017133, DB-019558, NS00002094, T1305, 2-(dichloromethyl)-1-(trifluoromethyl)benzene, G77876, 1-(Dichloromethyl)-2-(trifluoromethyl)benzene #, Alpha’,alpha’-dichloro-alpha,alpha,alpha-trifluoro-O-xylene, Trifluoromethylbenzalchloride;2-(dichloromethyl)benzotrifluoride

1-(Dichloromethyl)-2-(trifluoromethyl)benzene is primarily employed as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. The compound’s reactive dichloromethyl group enables facile nucleophilic substitutions, while the electron-withdrawing trifluoromethyl moiety enhances metabolic stability in drug candidates. Researchers utilize this chemical to develop novel CNS-active compounds and crop protection agents. It also finds application in material science for creating specialty polymers with enhanced thermal and chemical resistance.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Acute Tox. 4 (50%)
• Skin Corr. 1C (50%)
• Skin Irrit. 2 (50%)
• Eye Dam. 1 (50%)
• Eye Irrit. 2 (50%)
• Acute Tox. 4 (50%)
• STOT SE 3 (50%)

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