Description

4-Bromo-3-Thiocyanato-Benzoic Acid Ethyl Ester is a specialized organic building block of significant interest in advanced chemical synthesis. This compound matters for its unique bifunctional structure, incorporating both a bromo and a thiocyanato substituent on a benzoic acid ester core, which enables versatile downstream modifications. It is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for constructing complex molecular architectures, particularly in the development of novel active ingredients.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly those targeting specific enzyme inhibitors or receptor modulators.
• Agrochemical Research: Used in the development of new herbicides, fungicides, or insecticides, leveraging its reactive sites for structural diversification.
• Material Science: Serves as a monomer or cross-linking agent in the research of advanced polymers with specific optical or electronic properties.
• Chemical Biology: Employed as a probe or linker in bioconjugation chemistry due to the reactivity of the thiocyanate and bromo functional groups.
• Organic Synthesis: A versatile building block for palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Sonogashira) and nucleophilic substitution reactions.

Basic Information

Product Name	4-Bromo-3-Thiocyanato-Benzoic Acid Ethyl Ester
CAS No.	1823516-34-2
Molecular Formula	C10H8BrNO2S
Molecular Weight	286.15 g/mol
Synonyms	Ethyl 4-Bromo-3-thiocyanatobenzoate; Benzoic acid, 4-bromo-3-thiocyanato-, ethyl ester; 4-Bromo-3-thiocyanatobenzoic acid ethyl ester; 3-Thiocyanato-4-bromobenzoic acid ethyl ester; 1823516-34-2; SCHEMBL23384077; Ethyl 4-bromo-3-isothiocyanatobenzoate (tautomer)
EINECS	Contact for details

Quality Control

Our 4-Bromo-3-Thiocyanato-Benzoic Acid Ethyl Ester is manufactured under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC for purity assessment and NMR/IR for structural confirmation, to ensure it meets the high standards required for research and development. Certificates of Analysis (COA) detailing batch-specific results are available upon request to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from heat, sparks, and open flame. This material is light-sensitive (store away from light).

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%

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