101513-77-3 | 3-Chloro-2,4,5-trifluorobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$22.00	$15.00
5g	97%	in stock	$72.00	$50.00
10g	97%	in stock	$125.00	$88.00
25g	97%	in stock	$223.00	$156.00
100g	97%	in stock	$843.00	$590.00

Description

• Catalog Number: AA05889
• Chemical Name: 3-Chloro-2,4,5-trifluorobenzoic acid
• CAS Number: 101513-77-3
• Molecular Formula: C7H2ClF3O2
• Molecular Weight: 210.5378
• MDL Number: MFCD00153101
• SMILES: OC(=O)c1cc(F)c(c(c1F)Cl)F

Computed Properties

• Complexity: 214
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.4

Upstream Synthesis Route

3-Chloro-2,4,5-trifluorobenzoic acid, also known as $name$, serves as a crucial building block in chemical synthesis due to its versatile reactivity and unique structural properties. This compound is commonly utilized in organic chemistry as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and advanced materials. Its trifluoromethyl and chloro substituents impart valuable electronic properties that enable it to participate in diverse reactions, including nucleophilic substitution, transition metal-catalyzed coupling, and rearrangement reactions. The presence of the chlorine atom at the 3-position grants positional selectivity in further derivatization, making it a valuable tool for the introduction of functional groups at specific sites in complex molecules. Moreover, the trifluoromethyl group enhances the lipophilicity and metabolic stability of the final products, making 3-Chloro-2,4,5-trifluorobenzoic acid a valuable building block in the design and synthesis of bioactive compounds with improved pharmacokinetic profiles and biological activities.