Description

Thiocyanic Acid, 3-Oxobutyl Ester (6Ci,9Ci) is a specialized organic thiocyanate ester with a reactive ketone functional group. This unique bifunctional structure makes it a valuable chemical intermediate and building block for synthesizing more complex molecules. It is primarily used by pharmaceutical and agrochemical research and development teams, as well as in the synthesis of specialty chemicals.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly those containing thiocyanate or heterocyclic motifs.
• Agrochemical Synthesis: Used in the research and production of novel herbicides, fungicides, and insecticides, leveraging its reactive sites for molecular diversification.
• Chemical Research & Development: Acts as a versatile building block in organic synthesis for creating libraries of compounds in medicinal and materials chemistry.
• Specialty Chemical Manufacturing: Employed in the production of dyes, pigments, and other performance chemicals where the thiocyanate group is integral.
• Polymer Modification: Can be used to introduce functional groups into polymer chains to alter physical or chemical properties.

Basic Information

Product Name	Thiocyanic Acid, 3-Oxobutyl Ester (6Ci,9Ci)
CAS No.	57308-66-4
Molecular Formula	C5H7NO2S
Molecular Weight	145.18 g/mol
Synonyms	4-(Thiocyanato)-2-butanone; 4-Thiocyanatobutan-2-one; 3-Oxobutyl thiocyanate; NSC 163080; Butan-2-one, 4-thiocyanato-; 4-Thiocyanato-2-butanone; Acetyl ethyl thiocyanate; 1-Thiocyanato-3-butanone
EINECS	Contact for details

Quality Control

Our production of Thiocyanic Acid, 3-Oxobutyl Ester adheres to stringent internal quality standards to ensure batch-to-batch consistency and reliability. Each lot is analyzed using advanced chromatographic and spectroscopic techniques to confirm identity, purity, and the absence of critical impurities. A comprehensive Certificate of Analysis (COA) detailing all test results is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Keep away from heat, sparks, and open flame. Due to its light-sensitive nature, containers should be kept in opaque or amber packaging.

Specification

Item	Specification
Appearance	Clear to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 95.0%
Water Content (KF)	≤ 0.5%

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