Description

Benzonitrile, 3-[(3-Oxo-1(3H)-Isobenzofuranylidene)Methyl]-, (E)- (9Ci) is a specialized organic compound featuring a conjugated molecular structure that combines benzonitrile and phthalide moieties. This compound matters as a high-value chemical intermediate and a potential precursor for advanced materials, offering unique reactivity for synthesizing complex heterocyclic systems. It is primarily needed by research institutions and industrial R&D departments focused on developing novel pharmaceuticals, agrochemicals, and functional dyes.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of novel active pharmaceutical ingredients (APIs), particularly for compounds with fused heterocyclic structures.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides, leveraging its unique scaffold for bioactivity.
• Functional Dye & Pigment Synthesis: Acts as a precursor for creating specialized dyes, pigments, and optical brighteners due to its conjugated, light-absorbing properties.
• Organic Electronic Materials: Investigated as a potential component or precursor in the development of organic semiconductors and light-emitting materials.
• Academic & Industrial R&D: Employed in chemical research for studying reaction mechanisms, photochemistry, and as a ligand or catalyst precursor in coordination chemistry.
• Fine Chemical Synthesis: Utilized in custom and contract synthesis for producing complex, high-value specialty chemicals.

Basic Information

Product Name	Benzonitrile, 3-[(3-Oxo-1(3H)-Isobenzofuranylidene)Methyl]-, (E)- (9Ci)
CAS No.	42086-68-0
Molecular Formula	C16H9NO2
Molecular Weight	247.25 g/mol
Synonyms	(E)-3-[(3-Oxo-1-benzofuran-1(3H)-ylidene)methyl]benzonitrile; 3-[(3-Oxo-1(3H)-isobenzofuranylidene)methyl]benzonitrile; 1(3H)-Isobenzofuranone, 3-[(cyanophenyl)methylene]-, (E)-; (E)-3-(3-Oxophthalanylidene)methylbenzonitrile; 3-[(E)-2-(3-Cyanophenyl)ethenyl]-1(3H)-isobenzofuranone; (E)-3-(3-Oxo-1,3-dihydro-2-benzofuran-1-ylidene)methylbenzonitrile; 42086-68-0; Benzonitrile derivative with phthalide
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards. We provide material with a typical purity of ≥97% (HPLC), confirmed by advanced analytical techniques. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are available upon request. Our quality management system ensures traceability and batch-to-batch consistency for research and development applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Keep away from strong oxidizing agents, strong acids, and strong bases. For long-term storage, consider an inert atmosphere to maintain product integrity.

Specification

Item	Specification
Appearance	Yellow to orange crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥97.0%
Melting Point	Contact for details
Loss on Drying	≤0.5%
Residue on Ignition	≤0.1%
Heavy Metals	≤20 ppm

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