431-35-6 | 3-Bromo-1,1,1-trifluoroacetone

Packsize	Purity	Availability	Price	Discounted Price
5g	95%	in stock	$12.00	$9.00
10g	95%	in stock	$21.00	$15.00
25g	98%	in stock	$29.00	$20.00
100g	98%	in stock	$79.00	$55.00

Description

• Catalog Number: AB58049
• Chemical Name: 3-Bromo-1,1,1-trifluoroacetone
• CAS Number: 431-35-6
• Molecular Formula: C3H2BrF3O
• Molecular Weight: 190.9466
• MDL Number: MFCD00039237
• SMILES: BrCC(=O)C(F)(F)F

Computed Properties

• Complexity: 97.2
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• XLogP3: 1.9

Upstream Synthesis Route

1-Bromo-3,3,3-trifluoroacetone is a versatile chemical compound that finds wide application in chemical synthesis. Its unique structure and properties make it a valuable reagent in various organic reactions, particularly in the formation of complex organic molecules. In synthesis, 1-Bromo-3,3,3-trifluoroacetone serves as a key building block for the introduction of a trifluoromethyl group into organic compounds. This trifluoromethyl group can impart valuable properties to the target molecules, such as increased lipophilicity, bioactivity, and chemical stability. Additionally, the bromine atom in 1-Bromo-3,3,3-trifluoroacetone can serve as a handle for further functionalization, allowing for the synthesis of a diverse array of functionalized organic molecules. In summary, the application of 1-Bromo-3,3,3-trifluoroacetone in chemical synthesis lies in its ability to enable the efficient construction of complex molecules with unique properties and functionalities.

Literature

• Effect of norharmane in vitro on juvenile hormone epoxide hydrolase activity in the lower termite, Reticulitermes speratus.

  Journal of insect science (Online) 20080101

• 19F NMR of trifluoroacetyl-labeled cysteine mutants of myoglobin: structural probes of nitric oxide bound to the H93G cavity mutant.

  Biochemistry 20010724