Description

Isothiocyanic Acid 3-Buten-1-Yl Ester is a versatile organic intermediate characterized by its reactive isothiocyanate and terminal alkene functional groups. This dual functionality makes it a valuable building block for synthesizing more complex molecules, particularly in the fields of pharmaceuticals and agrochemicals. It is primarily sought after by research institutions and industrial manufacturers for the development of active ingredients and novel chemical entities.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of potential drug candidates, especially those containing thiourea or heterocyclic moieties.
• Agrochemical Synthesis: Used in the production of herbicides, fungicides, and plant growth regulators, leveraging its reactive sites for structural diversification.
• Polymer Modification: Acts as a cross-linking agent or a functional monomer for introducing specific chemical properties into polymer backbones.
• Chemical Research: Employed in organic synthesis laboratories for constructing specialized molecular libraries and exploring new reaction pathways.
• Bioconjugation: Utilized for labeling or modifying biomolecules such as proteins and peptides due to the reactivity of the isothiocyanate group with amines.

Basic Information

Product Name	Isothiocyanic Acid 3-Buten-1-Yl Ester
CAS No.	3386-97-8
Molecular Formula	C5H7NS
Molecular Weight	113.18 g/mol
Synonyms	3-Butenyl Isothiocyanate; 4-Isothiocyanato-1-butene; 1-Butene-4-isothiocyanate; Allyl Isothiocyanate Homolog; Vinyl Isothiocyanate Derivative; NSC 163063
EINECS	Contact for details

Quality Control

Our Isothiocyanic Acid 3-Buten-1-Yl Ester is produced and handled under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including assay by GC or HPLC and identity confirmation by FT-IR or NMR, to ensure high purity and consistency. Certificates of Analysis (COA) detailing all specifications are available upon request to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Recommended storage temperature is between 2°C and 8°C to maintain stability. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (GC/HPLC)	≥ 95.0%
Purity (by GC Area %)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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