Description

Benzene, 1-Bromo-2-Isothiocyanato-3,5-Dimethyl- (9Ci) is a specialized halogenated aromatic compound containing both bromo and isothiocyanato functional groups. This unique bifunctional structure makes it a valuable high-purity synthetic intermediate for constructing complex molecules in advanced research and development. It is primarily utilized by pharmaceutical and agrochemical R&D teams seeking to develop novel active ingredients and by academic researchers in synthetic organic chemistry.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of novel drug candidates, particularly those targeting specific biological pathways where the isothiocyanate group can act as a reactive handle.
• Agrochemical Research: Used in the development of new pesticides and herbicides, leveraging its aromatic core and reactive sites to create compounds with specific modes of action.
• Chemical Biology Probe Synthesis: The isothiocyanate group is ideal for creating covalent probes to study protein function and enzyme activity in biological systems.
• Material Science Research: Acts as a precursor for functionalized polymers or liquid crystals, where the bromo and isothiocyanato groups enable further cross-linking or modification.
• Academic & Industrial R&D: A versatile reagent for methodological development in organic synthesis, including cross-coupling reactions and heterocycle formation.

Basic Information

Product Name	Benzene, 1-Bromo-2-Isothiocyanato-3,5-Dimethyl- (9Ci)
CAS No.	140136-71-6
Molecular Formula	C9H8BrNS
Molecular Weight	242.14 g/mol
Synonyms	1-Bromo-2-isothiocyanato-3,5-dimethylbenzene; 2-Bromo-6-isothiocyanato-1,3-dimethylbenzene; 3,5-Dimethyl-2-bromophenyl isothiocyanate; 2-Bromo-1,3-dimethyl-6-isothiocyanatobenzene; (2-Bromo-3,5-dimethylphenyl) isothiocyanate; Benzene, 1-bromo-2-isothiocyanato-3,5-dimethyl-; 140136-71-6 (CAS)
EINECS	Contact for details

Quality Control

Our high-purity R&D-grade products undergo rigorous quality testing to ensure batch-to-batch consistency and compliance with industry standards. A comprehensive Certificate of Analysis (COA) is provided with each shipment, detailing purity, identity, and impurity profiles as determined by advanced analytical techniques. We are committed to supporting your research with reliable and traceable materials.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic (moisture-sensitive) nature, the container should be kept sealed under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to maintain optimal purity and stability. Recommended storage temperature is 2-8°C.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Melting Point	Contact for details
Heavy Metals	< 20 ppm
Residual Solvents (GC)	Complies with 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.