Description

4-Bromo-2-Fluoro-5-Methylphenylisothiocyanate is a specialized aromatic isothiocyanate derivative, a high-value building block in advanced organic synthesis. Its core value lies in its unique bifunctional reactivity, where the isothiocyanate group serves as a versatile handle for constructing heterocyclic cores and the halogenated aromatic ring enables further functionalization via cross-coupling reactions. This compound is essential for research chemists and process development scientists in the pharmaceutical and agrochemical industries, where it is used to develop novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel drug candidates, particularly for kinase inhibitors and other targeted therapies.
• Agrochemical Synthesis: Building block for developing new herbicides, fungicides, and plant growth regulators with enhanced efficacy.
• Material Science: Used in the preparation of functional polymers, liquid crystals, and advanced organic electronic materials.
• Chemical Biology & Proteomics: Acts as an active-site directed probe or labeling reagent due to the reactive isothiocyanate moiety.
• Heterocyclic Chemistry: Fundamental starting material for constructing complex sulfur- and nitrogen-containing heterocycles like benzothiazoles and thioureas.
• Cross-Coupling Substrate: The bromo substituent makes it an excellent substrate for palladium-catalyzed reactions (e.g., Suzuki, Sonogashira) to create diverse compound libraries.

Basic Information

Product Name	4-Bromo-2-Fluoro-5-Methylphenylisothiocyanate
CAS No.	1027512-10-2
Molecular Formula	C8H5BrFNS
Molecular Weight	246.10 g/mol
Synonyms	1-Bromo-4-fluoro-5-isothiocyanato-2-methylbenzene; 2-Fluoro-5-methyl-4-bromophenyl isothiocyanate; 4-Bromo-2-fluoro-5-methylbenzenisothiocyanate; (4-Bromo-2-fluoro-5-methylphenyl) isothiocyanate; 5-Methyl-4-bromo-2-fluorophenyl isothiocyanate; Isothiocyanic acid, 4-bromo-2-fluoro-5-methylphenyl ester
EINECS	Contact for details

Quality Control

Our 4-Bromo-2-Fluoro-5-Methylphenylisothiocyanate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure it meets the high standards required for research and scale-up applications. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to guarantee traceability and consistency for your critical synthetic workflows.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Heavy Metals	< 20 ppm
Residual Solvents (GC)	Meets ICH guidelines
Water Content (KF)	< 0.5%

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