Description

4-(Difluoromethyl)aniline hydrochloride (CAS No. 1980063-54-4) is a high-purity organic compound with the molecular formula C₇H₈ClF₂N. This white to off-white crystalline powder is a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of fluorinated active ingredients. With a molecular weight of 179.60 g/mol, this hydrochloride salt offers improved stability and handling compared to the free base form. The product is characterized by its high chemical purity (>97% by HPLC) and is supplied in tightly sealed containers under inert atmosphere to ensure long-term stability. Its unique difluoromethyl-aniline structure makes it a versatile building block for medicinal chemistry, enabling the introduction of fluorine atoms into target molecules to modulate their physicochemical properties.

Key specifications include: melting point range of 180-185°C, solubility in polar organic solvents (DMSO, methanol), and compliance with strict quality control standards. Each batch is accompanied by comprehensive analytical data including ¹H NMR, ¹³C NMR, and mass spectrometry reports. This product is ideal for research applications requiring precise fluorine substitution patterns in aromatic systems.

Properties

• CAS Number: 1980063-54-4
• Complexity: 97.8
• IUPAC Name: 4-(difluoromethyl)aniline;hydrochloride
• InChI: InChI=1S/C7H7F2N.ClH/c8-7(9)5-1-3-6(10)4-2-5;/h1-4,7H,10H2;1H
• InChI Key: ONCQIBIEQYPTRG-UHFFFAOYSA-N
• Exact Mass: 179.0313333
• Molecular Formula: C7H8ClF2N
• Molecular Weight: 179.59
• SMILES: C1=CC(=CC=C1C(F)F)N.Cl
• Topological: 26
• Monoisotopic Mass: 179.0313333
• Synonyms: 4-(Difluoromethyl)aniline hydrochloride, 1980063-54-4, 817-841-1, 4-(difluoromethyl)aniline;hydrochloride, MFCD28145075, SCHEMBL9901806, TQU0123, ONCQIBIEQYPTRG-UHFFFAOYSA-N, ZB0634, 4-(Difluoromethyl)anilinehydrochloride, AKOS030623243, DS-19979, FD143257, D78323, EN300-399466, Z2900188029

Application

4-(Difluoromethyl)aniline hydrochloride serves as a key synthetic intermediate in pharmaceutical research, particularly in the development of fluorinated drug candidates where the difluoromethyl group can enhance metabolic stability and membrane permeability. This compound is widely used in medicinal chemistry for the synthesis of protease inhibitors and kinase modulators. Its applications extend to materials science where it functions as a building block for advanced fluorinated polymers with unique electronic properties.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (75%): 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 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (75%)
• Eye Irrit. 2A (75%)
• Acute Tox. 4 (100%)
• STOT SE 3 (75%)

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