172333-87-8 | 3-Fluoro-5-(trifluoromethyl)phenol

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$33.00	$23.00
5g	95%	in stock	$74.00	$52.00
25g	98%	in stock	$263.00	$184.00
100g	96%	in stock	$985.00	$690.00

Description

• Catalog Number: AB64992
• Chemical Name: 3-Fluoro-5-(trifluoromethyl)phenol
• CAS Number: 172333-87-8
• Molecular Formula: C7H4F4O
• Molecular Weight: 180.0997
• MDL Number: MFCD09757594
• SMILES: Oc1cc(F)cc(c1)C(F)(F)F

Computed Properties

• Complexity: 156
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• XLogP3: 2.6

Upstream Synthesis Route

3-Fluoro-5-(trifluoromethyl)phenol is a versatile compound that finds valuable applications in chemical synthesis. With its unique molecular structure, this compound serves as a crucial building block in the production of various pharmaceuticals, agrochemicals, and specialty chemicals. In organic synthesis, it acts as a key intermediate in the preparation of complex molecules by undergoing various chemical reactions such as Friedel-Crafts acylation, etherification, and halogenation. Its trifluoromethyl group enhances the compound's reactivity and stability, making it an essential component in the creation of novel compounds with desirable properties. Additionally, the introduction of the fluoro group provides opportunities for further functionalization, allowing for the synthesis of diverse chemical structures with increased bioactivity and selectivity. The strategic incorporation of 3-Fluoro-5-(trifluoromethyl)phenol in chemical synthesis processes enables the development of advanced materials and compounds that have significant implications in the fields of medicine, agriculture, and materials science.

Literature

• Testing electrostatic complementarity in enzyme catalysis: hydrogen bonding in the ketosteroid isomerase oxyanion hole.

  PLoS biology 20060401