Atomfair 4-(Trifluoromethoxy)phenylboronic acid C7H6BF3O3 CAS 139301-27-2

Description

4-(Trifluoromethoxy)phenylboronic acid (CAS No. 139301-27-2) is a high-purity boronic acid derivative with the molecular formula C₇H₆BF₃O₃, widely used in organic synthesis, pharmaceutical research, and material science. This compound features a trifluoromethoxy (-OCF₃) group attached to a phenyl ring, enhancing its reactivity and stability in cross-coupling reactions such as Suzuki-Miyaura couplings. It is supplied as a white to off-white crystalline powder with varying amounts of anhydride, ensuring versatility in synthetic applications. Ideal for researchers and chemists, this reagent is rigorously tested for purity (typically >95%) and is packaged under inert conditions to maintain integrity. Suitable for use in drug discovery, agrochemical development, and advanced material synthesis.

Properties

• CAS Number: 139301-27-2
• Complexity: 178
• IUPAC Name: [4-(trifluoromethoxy)phenyl]boronic acid
• InChI: InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-3-1-5(2-4-6)8(12)13/h1-4,12-13H
• InChI Key: HUOFUOCSQCYFPW-UHFFFAOYSA-N
• Exact Mass: 206.0362087
• Molecular Formula: C7H6BF3O3
• Molecular Weight: 205.93
• SMILES: B(C1=CC=C(C=C1)OC(F)(F)F)(O)O
• Topological: 49.7
• Monoisotopic Mass: 206.0362087
• Synonyms: 139301-27-2, 4-(Trifluoromethoxy)phenylboronic acid, DTXSID00370275, DTXCID30321311, 642-479-4, 4-Trifluoromethoxyphenylboronic acid, 4-(Trifluoromethoxy)benzeneboronic Acid, [4-(trifluoromethoxy)phenyl]boronic Acid, (4-(trifluoromethoxy)phenyl)boronic acid, Boronic acid, B-[4-(trifluoromethoxy)phenyl]-, MFCD01074648, p-(trifluoromethoxy)phenylboronic acid, 4-(Trifluoromethoxy)phenylboronic acid (contains varying amounts of Anhydride), [4-(Trifluoromethoxy)Phenyl]Boranediol, [4-(trifluoromethoxy)-phenyl]boronic acid, Boronic acid, [4-(trifluoromethoxy)phenyl]-, SCHEMBL147828, BCP15046, 4-trifluoromethoxybenzeneboronic acid, 4-trifluoromethoxylphenylboronic acid, 4-trifluoromethoxy phenylboronic acid, 4-trifluoromethoxy-phenylboronic acid, 4-trifluoromethoxyphenyl boronic acid, 4-trifluoromethoxyphenyl-boronic acid, SBB093559, 4-triflouromethoxylphenyl boronic acid, 4-trifluoromethoxybenzene boronic acid, 4-trifluoromethoxylbenzeneboronic acid, 4-trifluoromethoxylphenyl boronic acid, 4-triflouromethoxy phenyl boronic acid, 4-trifluoromethoxy phenyl boronic acid, 4-trifluoromethoxy-phenyl boronic acid, AKOS000265128, AB08092, AC-5370, AS-2510, CS-W008942, FT61887, 4-(trifluoromethoxy) phenylboronic acid, 4-(trifluoromethoxy)-phenylboronic acid, 4-(trifluoromethoxy)phenyl boronic acid, 4-(trifluoromethyloxy)phenylboronic acid, (4-trifluoromethoxy-phenyl)-boronic acid, 4-(Trifluoromethoxy) phenyl boronic acid, NCGC00249559-01, HY-32908, SY007800, [4-(trifluoromethoxy)phenyl]-boronic acid, DB-010641, DB-344711, ST50405983, T1773, {4-[(trifluoromethyl)oxy]phenyl}boronic acid, EN300-137307, F0001-0477, Z381541048, 4-(Trifluoromethoxy)benzeneboronic Acid (contains varying amounts of Anhydride), 4-(Trifluoromethoxy)phenylboronic Acid, (contains varying amounts of Anhydride)

4-(Trifluoromethoxy)phenylboronic acid is a key intermediate in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of biaryl compounds for pharmaceuticals and agrochemicals. Its trifluoromethoxy group enhances metabolic stability in drug candidates, making it valuable in medicinal chemistry. The compound is also used in material science for constructing fluorinated organic frameworks and electronic materials. It serves as a versatile building block in palladium-catalyzed reactions for C-C bond formation. Researchers leverage its reactivity to develop novel compounds with tailored 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]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

Hazard Classes and Categories

• Acute Tox. 4 (16.7%)
• Skin Irrit. 2 (83.3%)
• Eye Irrit. 2A (83.3%)
• STOT SE 3 (75%)

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