Description

3-Bromo-1,1,1-Trifluoro-2-Propanol (CAS No. 431-34-5) is a high-purity fluorinated organic compound with the molecular formula C₃H₄BrF₃O. This halogenated alcohol is characterized by its trifluoromethyl group and bromine substitution, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. It is supplied as a clear, colorless to pale yellow liquid with a molecular weight of 193.96 g/mol and a boiling point of approximately 120-122°C. Ideal for nucleophilic substitution reactions, fluorination studies, and as a building block for agrochemicals or bioactive molecules. Store in a cool, dry place under inert atmosphere to maintain stability.

Properties

• CAS Number: 431-34-5
• Complexity: 71.4
• IUPAC Name: 3-bromo-1,1,1-trifluoro-propan-2-ol
• InChI: InChI=1S/C3H4BrF3O/c4-1-2(8)3(5,6)7/h2,8H,1H2
• InChI Key: VBHIIZIQRDVGDH-UHFFFAOYSA-N
• Exact Mass: 191.93976
• Molecular Formula: C3H4BrF3O
• Molecular Weight: 192.96
• SMILES: C(C(C(F)(F)F)O)Br
• Topological: 20.2
• Monoisotopic Mass: 191.93976
• Synonyms: 3-Bromo-1,1,1-trifluoro-2-propanol, 627-603-7, 3-bromo-1,1,1-trifluoropropan-2-ol, 431-34-5, 88378-50-1, MFCD00040945, 3-bromo1,1,1-trifluoro-2-propanol, 2-Propanol, 3-bromo-1,1,1-trifluoro-, NSC3631, SCHEMBL622646, SCHEMBL4246519, DTXSID70277702, NSC-3631, SBB091515, AKOS005206999, SB45613, SB83866, 1,1,1-trifluoro-3-bromo-propan-2-ol, AS-39271, DB-022301, ST51041388, [rac]-3-bromo-1,1,1-trifluoro-propan-2-ol, 3-Bromo-1,1,1-trifluoro-2-propanol, 96%, 3-bromanyl-1,1,1-tris(fluoranyl)propan-2-ol, A826170, 3-Bromo-1 pound not1 pound not1-trifluoro-2-propanol, InChI=1/C3H4BrF3O/c4-1-2(8)3(5,6)7/h2,8H,1H

Application

3-Bromo-1,1,1-Trifluoro-2-Propanol is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its reactive bromine and hydroxyl groups enable facile derivatization for cross-coupling reactions or esterification. Researchers utilize this compound to introduce trifluoromethyl groups into target molecules, enhancing metabolic stability in drug discovery. It also serves as a precursor for specialty surfactants and polymers with unique hydrophobic properties.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

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

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