4387-31-9

Basic information

• Product Name: 4-CHLORO-3-METHYLBENZONITRILE
• Synonyms: 4-CHLORO-3-METHYLBANZONITRILE
• CAS NO: 4387-31-9
• Molecular Formula: C₈H₆ClN
• Molecular Weight: 151.6
• Product Categories: Nitrile;Chlorine Compounds;Nitriles
• Mol File: 4387-31-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 243.5 °C at 760 mmHg
• Flash Point: 99.9 °C
• Appearance: /
• Density: 1.19 g/cm³
• Vapor Pressure: 0.0321mmHg at 25°C
• Refractive Index: 1.553
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 4-CHLORO-3-METHYLBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CHLORO-3-METHYLBENZONITRILE(4387-31-9)
• EPA Substance Registry System: 4-CHLORO-3-METHYLBENZONITRILE(4387-31-9)

Safety Data

• Hazardous Substances Data: 4387-31-9(Hazardous Substances Data)

Usage

General Description

4-CHLORO-3-METHYLBENZONITRILE is a chemical compound with the molecular formula C8H6ClN. It is a nitrile derivative with a chlorine atom and a methyl group attached to a benzene ring. 4-CHLORO-3-METHYLBENZONITRILE is commonly used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and dyes. It is a white to off-white crystalline solid with a slightly aromatic odor. 4-CHLORO-3-METHYLBENZONITRILE is flammable and may emit toxic fumes when heated to high temperatures. It is important to handle and store this chemical with proper precautions to avoid any potential hazards.

InChI:InChI=1/C8H6ClN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3

Upstream product

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Downstream Products

• 1187369-46-5 4-hydrazinyl-3-methylbenzonitrile 
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Relevant articles and documents

Dual Ligand-Enabled Nondirected C-H Cyanation of Arenes

Aromatic nitriles are key structural units in organic chemistry and, therefore, highly attractive targets for C-H activation. Herein, the development of an arene-limited, nondirected C-H cyanation based on the use of two cooperatively acting commercially available ligands is reported. The reaction enables the cyanation of arenes by C-H activation in the absence of directing groups and is therefore complementary to established approaches.

1,2-Diarylimidazoles as potent, cyclooxygenase-2 selective, and orally active antiinflammatory agents

Series of 1,2-diarylimidazoles has been synthesized and found to contain highly potent and selective inhibitors of the human COX-2 enzyme. The paper describes a short synthesis of the target 1,2-diarylimidazoles starting with aryl nitriles. Different portions of the diarylimidazole (I) were modified to establish SAR. Systematic variations of the substituents in the aryl ring B have yielded very potent (IC50 = 10-100 nm) and selective (1000-12500) inhibitors of the COX-2 enzyme. The study on the influence of substituents in the imidazole ring established that a CF3 group at position 4 gives the optimum oral activity. A number of the diarylimidazoles showed excellent inhibition in the adjuvant induced arthritis model (e.g., ED50 = 0.02 mpk for 22 and 34). The diarylimidazoles are also potent inhibitors of carrageenan-induced edema (ED50 = 9-30 mpk) and hyperalgesia (ED50 = 11- 40 mpk). Several orally active diarylimidazoles show no GI toxicity in the rat and mouse up to 200 mpk.