1128-76-3 | Ethyl 3-chlorobenzoate

Packsize	Purity	Availability	Price	Discounted Price
1g	94%	in stock	$14.00	$10.00
25g	94%	in stock	$15.00	$11.00

Description

• Catalog Number: AB73733
• Chemical Name: Ethyl 3-chlorobenzoate
• CAS Number: 1128-76-3
• Molecular Formula: C9H9ClO2
• Molecular Weight: 184.6196
• MDL Number: MFCD00013634
• SMILES: CCOC(=O)c1cccc(c1)Cl
• NSC Number: 67339

Computed Properties

• Complexity: 159
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• XLogP3: 3.1

Upstream Synthesis Route

Ethyl 3-chlorobenzoate, a versatile chemical compound, serves as a key building block in various chemical syntheses due to its unique reactivity and functionality. With a chlorine atom strategically positioned on the benzene ring, this compound offers a wide range of applications in organic chemistry.One prominent use of ethyl 3-chlorobenzoate is as a valuable starting material for the synthesis of complex organic molecules. Through various chemical reactions, such as nucleophilic substitution, esterification, or Friedel-Crafts acylation, this compound can undergo transformations to yield a diverse array of substituted benzoic acid derivatives. These derivatives are crucial in the pharmaceutical industry for the production of active pharmaceutical ingredients (APIs), agrochemicals, and other fine chemicals.Additionally, ethyl 3-chlorobenzoate can also be utilized in the synthesis of fragrances, flavoring agents, and materials for the chemical industry. Its chloro-substituted benzene ring confers specific properties that are advantageous in the creation of specialty chemicals with desired aromatic profiles and reactivity.Furthermore, the presence of the ethyl ester group in ethyl 3-chlorobenzoate enables further functionalization through ester hydrolysis or transesterification reactions, expanding its synthetic utility in various chemical transformations.Overall, the strategic placement of the chlorine atom and the ethyl ester moiety in ethyl 3-chlorobenzoate make it a valuable intermediate in chemical synthesis, enabling the efficient construction of diverse organic molecules and facilitating the development of novel materials with unique properties.

Literature

• 3-Chloro-benzohydrazide.

  Acta crystallographica. Section E, Structure reports online 20100801