34662-30-1

Basic information

• Product Name: 3-CHLORO-5-NITROBENZONITRILE
• Synonyms: 3-CHLORO-5-NITROBENZONITRILE;3-Chloro-5-nitrobenzonitrile 98%;3-Chloro-5-cyanonitrobenzene;3-Nitro-5-chlorobenzonitrile;3-Chloro-5-nitrobenzonitrile98%
• CAS NO: 34662-30-1
• Molecular Formula: C₇H₃ClN₂O₂
• Molecular Weight: 182.56
• Product Categories: blocks;Carboxes;NitroCompounds
• Mol File: 34662-30-1.mol
• Article Data: 4

Chemical Properties

• Melting Point: 84-87
• Boiling Point: 262∶C
• Flash Point: 112∶C
• Appearance: /
• Density: 1.47
• Vapor Pressure: 0.0112mmHg at 25°C
• Refractive Index: 1.599
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 3-CHLORO-5-NITROBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLORO-5-NITROBENZONITRILE(34662-30-1)
• EPA Substance Registry System: 3-CHLORO-5-NITROBENZONITRILE(34662-30-1)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 34662-30-1(Hazardous Substances Data)

Usage

General Description

3-Chloro-5-nitrobenzonitrile is a chemical compound with the molecular formula C7H3ClN2O2. It is a yellow crystalline solid that is insoluble in water but soluble in organic solvents. 3-Chloro-5-nitrobenzonitrile is used in the synthesis of pharmaceuticals and agrochemicals. It is a versatile building block for organic synthesis, and it is commonly used in the production of dyes and other fine chemicals. 3-Chloro-5-nitrobenzonitrile is a potentially hazardous chemical and should be handled with care, as it may cause irritation to the skin, eyes, and respiratory system upon contact or inhalation.

InChI:InChI=1/C7H3ClN2O2/c8-6-1-5(4-9)2-7(3-6)10(11)12/h1-3H

Upstream product

• 20352-84-5 1-amino-2-cyano-4-nitro-6-chlorobenzene 
• 1212021-11-8 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 
• 766-84-7 3-chloro-benzonitrile 

Downstream Products

• 34662-36-7 3-chloro-5-nitrobenzoic acid 
• 53312-78-0 3-amino-5-chloro-benzonitrile 

Relevant articles and documents

meta-Nitration of Arenes Bearing ortho/para Directing Group(s) Using C?H Borylation

Herein, we report the meta-nitration of arenes bearing ortho/para directing group(s) using the iridium-catalyzed C?H borylation reaction followed by a newly developed copper(II)-catalyzed transformation of the crude aryl pinacol boronate esters into the corresponding nitroarenes in a one-pot fashion. This protocol allows the synthesis of meta-nitrated arenes that are tedious to prepare or require multistep synthesis using the existing methods. The reaction tolerates a wide array of ortho/para-directing groups, such as ?F, ?Cl, ?Br, ?CH3, ?Et, ?iPr ?OCH3, and ?OCF3. It also provides regioselective access to the nitro derivatives of π-electron-deficient heterocycles, such as pyridine and quinoline derivatives. The application of this method is demonstrated in the late-stage modification of complex molecules and also in the gram-scale preparation of an intermediate en route to the FDA-approved drug Nilotinib. Finally, we have shown that the nitro product obtained by this strategy can also be directly converted to the aniline or hindered amine through Baran's amination protocol.

Macrolactams by engineered biosynthesis

Macrolactams are made by feeding aromatic amino acids as replacement starter units to a mutant strain of the geldanamycin-producing microorganism Streptomyces hygroscopicus var. geldanus NRRL 3602, wherein the gene cluster encoding enzymes for the biosynt