1532-91-8

Basic information

• Product Name: 4-Chloroisoquinoline
• Synonyms: 4-CHLOROISOQUINOLINE
• CAS NO: 1532-91-8
• Molecular Formula: C₉H₆ClN
• Molecular Weight: 163.6
• EINECS: -0
• Mol File: 1532-91-8.mol
• Article Data: 5

Chemical Properties

• Melting Point: 27.5-29.5 °C
• Boiling Point: 276.204 °C at 760 mmHg
• Flash Point: 147.383 °C
• Appearance: Pale yellow solid
• Density: 1.271 g/cm³
• Vapor Pressure: 0.008mmHg at 25°C
• Refractive Index: 1.652
• Storage Temp.: 2-8°C
• PKA: 3.30±0.10(Predicted)
• CAS DataBase Reference: 4-Chloroisoquinoline(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Chloroisoquinoline(1532-91-8)
• EPA Substance Registry System: 4-Chloroisoquinoline(1532-91-8)

Safety Data

• Hazardous Substances Data: 1532-91-8(Hazardous Substances Data)

Usage

General Description

4-Chloroisoquinoline is a chemical compound with the molecular formula C9H6ClN. It is a chlorinated derivative of isoquinoline, a heterocyclic compound consisting of a benzene ring fused to a pyridine ring. 4-Chloroisoquinoline is used as a building block in the synthesis of pharmaceuticals and agrochemicals. It is also used in the production of dyes, pigments, and other specialty chemicals. The compound has a pale yellow appearance and a molecular weight of 169.6 g/mol. It is important to handle 4-Chloroisoquinoline with care, as it is toxic and may cause irritation or allergic reactions upon contact with skin or inhalation.

InChI:InChI=1/C9H6ClN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H

Upstream product

• 23687-25-4 4-aminoisoquinoline 
• 119-65-3 isoquinoline 
• 94169-93-4 N-benzoyl-1-(2',4',6'-trinitrobenzyl)-1,2-dihydroisoquinoline 
• 108231-23-8 N-benzoyl-4-chloro-1-(2',4',6'-trinitrobenzyl)-1,2-dihydroisoquinoline 
• 120569-14-4 C₂₃H₁₆N₂O₂ 
• 3336-49-0 4-isoquinolinol 

Downstream Products

• 119-65-3 isoquinoline 
• 928665-18-3 1,4-dichloro-5-nitroisoquinoline 
• 928665-17-2 4-chloro-5-nitroisoquinoline 2-oxide 

Relevant articles and documents

Preparation method of 4-halogenated isoquinoline compound

The invention relates to a preparation method of a 4-halogenated isoquinoline compound. The method comprises the following steps: adding an Ag2O catalyst, a reactant I, a reactant II, a K2S2O8 oxidant, an acetonitrile solution and magneton into a reactor, placing the reactor in an oil bath pan with the temperature of 60-100 DEG C, heating and reacting for 4-12 hours, pouring the reaction liquid into a separating funnel, adding distilled water, extracting with ethyl acetate, merging the obtained organic phases, carrying out rotary drying by using a rotary evaporator, and carrying out column chromatography separation and purification on a crude product to obtain the 4-halogenated isoquinoline compound, wherein the reactant I is isoquinoline; and the reactant II is KX, and X is halogen. The 4-halogenated isoquinoline compound is synthesized by taking an isoquinoline group as a positioning group and carrying out halogenation reaction at the No.4 site of isoquinoline. The method is mild in reaction condition, relatively high in yield and environment-friendly. Through detection, the synthesized 4-halogenated isoquinoline compound has better biological activity and can be applied to the fields of drug synthesis, pesticide synthesis, paint dye synthesis and the like.

5-Substituted isoquinoline derivatives

A compound represented by the following formula (1) or a salt thereof: wherein R1 represents hydrogen atom, a halogen atom and the like; R2 represents hydrogen atom, a halogen atom, a C1-6 alkyl group and the like; and R3 represents —O—X—C(A1)(A11)—C(A2)(A2l)—N(A3l)(A3)(X represents propylene group etc., A11 and A21 represent hydrogen atom, or a C1-6 alkyl group, A31 represents a C1-6 alkyl group substituted with hydroxyl group, or hydrogen atom, and A1, A2, and A3 represent hydrogen atom, a C1-6 alkyl group and the like) and the like, which has an inhibitory activity on the phosphorylation of myosin regulatory light chain, and is useful for treatment of diseases relating to contraction of various cells and the like.

PHOTODECARBOXYLATIVE CHLORINATION OF CARBOXYLIC ACIDS VIA THEIR BENZOPHENONE OXIME ESTERS

Decarboxylative chlorination of various aromatic and aliphatic carboxylic acids is performed successfully by the photolysis of their benzophenone oxime esters in carbon tetrachloride and corresponding chloro compounds are prepared in good yields.High selective generation of the certain radical and efficiency of the stable radical precursor, benzophenone oxime ester, afford much advantage for radical chemistry.