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4-Cyanobenzaldehyde
[CAS# 105-07-7]

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Complete supplier list of 4-Cyanobenzaldehyde
Identification
Classification Chemical reagent >> Organic reagent >> Cyanide/nitrile
Name 4-Cyanobenzaldehyde
Synonyms 4-Formylbenzonitrile
Molecular Structure CAS # 105-07-7, 4-Cyanobenzaldehyde, 4-Formylbenzonitrile
Molecular Formula C8H5NO
Molecular Weight 131.13
CAS Registry Number 105-07-7
EC Number 203-267-3
SMILES C1=CC(=CC=C1C=O)C#N
Properties
Density 1.2±0.1 g/cm3, Calc.*
Melting point 100-102 ºC (Expl.)
Index of Refraction 1.552, Calc.*
Boiling Point 262.3±0.0 ºC (760 mmHg), Calc.*, 133 ºC (12 mmHg) (Expl.)
Flash Point 124.2±22.6 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbols symbol   GHS07 Warning    Details
Hazard Statements H302-H312-H315-H319-H332-H335    Details
Precautionary Statements P261-P264-P264+P265-P270-P271-P280-P301+P317-P302+P352-P304+P340-P305+P351+P338-P317-P319-P321-P330-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501    Details
Hazard Classification
up    Details
HazardClassCategory CodeHazard Statement
Acute toxicityAcute Tox.4H312
Acute toxicityAcute Tox.4H332
Acute toxicityAcute Tox.4H302
Skin irritationSkin Irrit.2H315
Specific target organ toxicity - single exposureSTOT SE3H335
Eye irritationEye Irrit.2AH319
Eye irritationEye Irrit.2H319
SDS Available
up Discovory and Applicatios
4-Cyanobenzaldehyde is an aromatic compound featuring a cyano group (-CN) and an aldehyde group (-CHO) attached to a benzene ring. This dual functionality makes it a versatile intermediate in organic synthesis and industrial applications. The compound has attracted significant interest in fields ranging from material science to pharmaceutical development due to its reactivity and structural features.

The synthesis of 4-cyanobenzaldehyde can be achieved through various methods, with a common approach involving the direct cyanation of benzaldehyde derivatives or the partial oxidation of 4-cyanotoluene. Catalytic processes often employ metal catalysts such as palladium or copper to ensure high yield and selectivity. Advanced green chemistry techniques have also been developed to minimize environmental impact during production.

In pharmaceutical research, 4-cyanobenzaldehyde serves as a key intermediate for synthesizing a wide range of bioactive compounds. Its aldehyde group allows for Schiff base formation and other nucleophilic addition reactions, enabling the creation of derivatives with diverse biological activities. These derivatives have been explored for their potential as anti-inflammatory, antimicrobial, and anticancer agents. The cyano group adds an electron-withdrawing effect that modulates the physicochemical properties of resulting molecules, such as solubility and stability.

In material science, 4-cyanobenzaldehyde is employed in the preparation of polymers and liquid crystalline materials. Its rigid aromatic structure and polar functional groups contribute to the alignment properties and thermal stability required for advanced optical and electronic applications. Additionally, it is used in the synthesis of dyes and pigments, where its reactive functional groups enable binding to various substrates.

The compound’s role in chemical research extends to its use as a building block for heterocyclic compounds. Cyclization reactions involving 4-cyanobenzaldehyde lead to the formation of nitrogen-containing rings, such as quinolines and isoquinolines, which are valuable in both medicinal and industrial chemistry.

Future advancements aim to improve the synthesis and functionalization of 4-cyanobenzaldehyde, with a focus on developing environmentally friendly methods and exploring its potential in novel applications, such as nanotechnology and renewable energy systems.
Market Analysis Reports
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