Description

alpha,alpha,alpha-Trifluoro-o-cresol (CAS No. 444-30-4), also known as 2-(Trifluoromethyl)phenol, is a high-purity fluorinated phenolic compound with the molecular formula C₇H₅F₃O. This specialized chemical is widely utilized in pharmaceutical synthesis, agrochemical development, and advanced material science due to its unique trifluoromethyl group, which enhances reactivity and stability. Our product is rigorously tested to meet the highest standards of purity (>98%), ensuring optimal performance in sensitive applications. Suitable for use as an intermediate in organic synthesis, this compound is available in various packaging options to suit laboratory and industrial-scale requirements. Store in a cool, dry place under inert conditions to maintain integrity.

Properties

• CAS Number: 444-30-4
• Complexity: 132
• IUPAC Name: 2-(trifluoromethyl)phenol
• InChI: InChI=1S/C7H5F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4,11H
• InChI Key: ZOQOPXVJANRGJZ-UHFFFAOYSA-N
• Exact Mass: 162.02924926
• Molecular Formula: C7H5F3O
• Molecular Weight: 162.11
• SMILES: C1=CC=C(C(=C1)C(F)(F)F)O
• Topological: 20.2
• Monoisotopic Mass: 162.02924926
• Synonyms: 2-(Trifluoromethyl)phenol, 444-30-4, alpha,alpha,alpha-Trifluoro-o-cresol, Phenol, 2-(trifluoromethyl)-, EINECS 207-148-7, DTXSID0074849, NSC 88333, DTXCID6040323, 207-148-7, inchi=1/c7h5f3o/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4,11, 2-Hydroxybenzotrifluoride, 2-Trifluoromethylphenol, o-Trifluoromethylphenol, o-Hydroxybenzotrifluoride, A,A,A-Trifluoro-o-cresol, MFCD00002222, o-(Trifluoromethoxy)phenol, o-Cresol, .alpha.,.alpha.,.alpha.-trifluoro-, 44-30-4, trifluoromethylphenol, 2-trifluoromethyphenol, 2-trifluromethylphenol, 2-triflouromethylphenol, 2-tri-fluoromethylphenol, 2-triflouromethyl-phenol, 2-trifluoromethyl phenol, 2-trifluoromethyl-phenol, 2-Hydroxy-alpha,alpha,alpha-trifluorotoluene, o-(Trifluoromethyl)phenol, 2-hydroxy benzotrifluoride, 2-hydroxy-benzotrifluoride, SCHEMBL69460, SCHEMBL187641, SCHEMBL717093, CHEMBL223906, SCHEMBL1519797, SCHEMBL3338590, SCHEMBL3428550, 2-Hydroxybenzotrifluoride, 97%, alpha,alpha,alpha-trifluorocresol, 2-Hydroxy-A,A,A-trifluorotoluene, alpha,alpha,alpha-trifluoro-cresol, alpha, alpha, alpha-trifluorocresol, NSC88333, BBL101294, NSC-88333, SBB087572, STL555090, o-Cresol,.alpha.,.alpha.-trifluoro-, 2,2,2-TRIFLUORO-META-CRESOL, AKOS005258008, CS-W016125, PS-8756, AC-25575, FT104721, DB-024029, .alpha.,.alpha.,.alpha.-Trifluoro-o-cresol, H0647, NS00043417, ST50406546, EN300-24407, Q63396553, Z194636998, 2-(Trifluoromethyl)phenol, alpha,alpha,alpha-Trifluoro-o-cresol, alpha,alpha,alpha-Trifluoro-o-cresol; o-Hydroxybenzotrifluoride

Application

alpha,alpha,alpha-Trifluoro-o-cresol serves as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of active pharmaceutical ingredients (APIs) with enhanced bioavailability. It is also employed in agrochemical research for creating fluorinated pesticides and herbicides. Additionally, its unique properties make it valuable in material science for designing specialty polymers and coatings with improved chemical resistance.

Safety and Hazards

GHS Hazard Statements

• H228 (47.1%): Flammable solid [Danger Flammable solids]
• H302 (51.8%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (51.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (50.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (48.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H332 (51.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (49.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P405, and P501

Hazard Classes and Categories

• Flam. Sol. 1 (47.1%)
• Acute Tox. 4 (51.8%)
• Acute Tox. 4 (51.8%)
• Skin Irrit. 2 (50.6%)
• Eye Dam. 1 (48.2%)
• Acute Tox. 4 (51.8%)
• STOT SE 3 (49.4%)

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