Description

Benzonitrile, 2-Bromo-4-(4,5,6,7-Tetrahydro-3,6,6-Trimethyl-4-Oxo-1H-Indazol-1-Yl)- is a high-value, multi-functional heterocyclic building block designed for advanced synthetic chemistry. This compound matters because it provides a structurally complex core for developing novel active pharmaceutical ingredients (APIs) and agrochemicals, offering significant potential for creating new intellectual property. It is primarily needed by research and development chemists in the pharmaceutical, agrochemical, and specialty chemical industries for lead optimization and process development.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel small molecule drug candidates, particularly for oncology, anti-inflammatory, and central nervous system (CNS) targets.
• Agrochemical Research: Serves as a sophisticated scaffold for developing next-generation herbicides, fungicides, and insecticides with novel modes of action.
• Chemical Biology Probe: Used in academic and industrial research to create molecular probes for studying enzyme function and biological pathways.
• Material Science: Potential building block for advanced organic electronic materials and specialty polymers due to its conjugated nitrile and heterocyclic structure.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for client-specific synthesis projects requiring this precise molecular architecture.

Basic Information

Product Name	Benzonitrile, 2-Bromo-4-(4,5,6,7-Tetrahydro-3,6,6-Trimethyl-4-Oxo-1H-Indazol-1-Yl)-
CAS No.	908111-29-5
Molecular Formula	C₁₇H₁₈BrN₃O
Molecular Weight	360.25 g/mol
Synonyms	2-Bromo-4-(4,5,6,7-tetrahydro-3,6,6-trimethyl-4-oxo-1H-indazol-1-yl)benzonitrile; 1-(4-Bromo-2-cyanophenyl)-3,6,6-trimethyl-4,5,6,7-tetrahydro-1H-indazol-4-one; 908111-29-5; 2-Bromo-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzonitrile
EINECS	Contact for details

Quality Control

Our production of Benzonitrile, 2-Bromo-4-(4,5,6,7-Tetrahydro-3,6,6-Trimethyl-4-Oxo-1H-Indazol-1-Yl)- adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity for research and development applications. All materials are characterized by advanced analytical techniques including NMR, HPLC, and MS. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment to support your regulatory and quality documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). This compound is light-sensitive (store away from light) and may be hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere if necessary for long-term storage.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder
Identification (HPLC)	Conforms to reference standard
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 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.