Description

Benzoic Acid, 3-Chloro-, 1,1-Dimethylethyl Ester is a specialized organic ester derivative of chlorobenzoic acid, valued for its role as a versatile chemical intermediate and protecting group in advanced organic synthesis. Its molecular structure, featuring both a chloro substituent and a bulky tert-butyl ester group, makes it a critical building block for creating complex molecules with tailored properties. This compound is essential for research and development chemists in the pharmaceutical, agrochemical, and specialty chemical industries seeking to introduce specific functional groups or modify compound solubility and stability.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the multi-step synthesis of active pharmaceutical ingredients (APIs), particularly where the chlorobenzoate moiety is required.
• Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and plant growth regulators, leveraging its reactivity for constructing heterocyclic or aromatic core structures.
• Organic Synthesis Building Block: Acts as a protected form of 3-chlorobenzoic acid, allowing for selective reactions at other sites on the molecule before deprotection.
• Polymer Chemistry: Employed in the synthesis of specialty monomers or as a modifier to impart specific characteristics like UV stability or altered polarity to polymers.
• Liquid Crystal & Electronic Materials: Functions as a precursor in the development of organic electronic materials and liquid crystal compounds due to its aromatic and ester functionality.
• Flavor & Fragrance Ingredient Synthesis: Utilized as an intermediate for creating complex ester-based aroma chemicals, where chlorinated benzoates can be further transformed.

Basic Information

Product Name	Benzoic Acid, 3-Chloro-, 1,1-Dimethylethyl Ester
CAS No.	16537-17-0
Molecular Formula	C11H13ClO2
Molecular Weight	212.67 g/mol
Synonyms	tert-Butyl 3-Chlorobenzoate; 3-Chlorobenzoic Acid tert-Butyl Ester; 1,1-Dimethylethyl 3-Chlorobenzoate; Benzoic Acid, 3-Chloro-, tert-Butyl Ester; tert-Butyl m-Chlorobenzoate; m-Chlorobenzoic Acid tert-Butyl Ester; 3-Chloro-benzoic acid tert-butyl ester; (3-Chlorophenyl)carboxylic acid tert-butyl ester
EINECS	Contact for details

Quality Control

Our Benzoic Acid, 3-Chloro-, 1,1-Dimethylethyl Ester is manufactured under a strict quality management system. Each batch undergoes comprehensive analytical testing to ensure identity, purity, and consistency, meeting the stringent requirements for high-value chemical intermediates. Certificates of Analysis (COA) detailing specifications such as assay, impurity profile, and physical properties are provided and available upon request to support your quality assurance protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. The compound is typically stable under these conditions but should be handled and stored following standard laboratory safety practices for organic esters.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or low-melting solid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Related Substances (HPLC)	Total impurities ≤ 2.0%
Individual Unknown Impurity	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.