Description

[2-Bromo-4-(trifluoromethyl)phenyl]methanol (CAS No. 497959-33-8) is a high-purity aromatic alcohol derivative with the molecular formula C₈H₆BrF₃O. This compound features a bromo-substituted phenyl ring with a trifluoromethyl group at the para position and a hydroxymethyl functional group at the benzylic position, making it a versatile intermediate in synthetic organic chemistry. Its unique structure allows for further functionalization, particularly in pharmaceutical and agrochemical applications. The product is supplied as a crystalline solid with >95% purity (HPLC), ensuring consistency for research and industrial use. Proper storage under inert conditions at 2-8°C is recommended to maintain stability.

Properties

• CAS Number: 497959-33-8
• Complexity: 171
• IUPAC Name: [2-bromo-4-(trifluoromethyl)phenyl]methanol
• InChI: InChI=1S/C8H6BrF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3,13H,4H2
• InChI Key: NKWNLTSBVALPBR-UHFFFAOYSA-N
• Exact Mass: 253.95541
• Molecular Formula: C8H6BrF3O
• Molecular Weight: 255.03
• SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)CO
• Topological: 20.2
• Monoisotopic Mass: 253.95541
• Synonyms: [2-bromo-4-(trifluoromethyl)phenyl]methanol, (2-BROMO-4-(TRIFLUOROMETHYL)PHENYL)METHANOL, 982-932-6, 2-Bromo-4-(trifluoromethyl)benzyl alcohol, 497959-33-8, MFCD03788534, 2-Bromo-4-(trifluoromethyl)benzylalcohol, SCHEMBL147970, DTXSID90381370, CL9090, SBB101516, AKOS015891406, FB66618, PS-7420, 2-bromo-4-trifluoromethylbenzyl alcohol, 3-Bromo-4-(hydroxymethyl)benzotrifluoride, AC-28643, DA-20776, SY114246, [2-bromo-4-(trifluoromethyl)phenyl]methan-1-ol, EN300-1934954

Application

This compound serves as a key building block in the synthesis of trifluoromethyl-substituted aromatic compounds, which are prevalent in drug discovery and material science. It is particularly useful in cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings, due to the reactive bromo substituent. Researchers also utilize it to develop bioactive molecules targeting inflammation and CNS disorders. Its trifluoromethyl group enhances metabolic stability in candidate compounds.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

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

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