3951-95-9

Basic information

• Product Name: 4-BROMO-1(2H)-ISOQUINOLONE
• Synonyms: 4-BROMO-2H-ISOQUINOLIN-1-ONE;4-BROMO-1-HYDROXYISOQUINOLINE;4-BROMO-1(2H)-ISOQUINOLONE;4-Bromo-1(2H)-isoquinolinone;4-Bromoisoquinolin-1-ol;4-bromoisocarbostyril;4-Bromoisoquinolin-1-ol, 4-Bromoisoquinolin-1(2H)-one;4-broMoisoquinolin-1(2H)-one
• CAS NO: 3951-95-9
• Molecular Formula: C₉H₆BrNO
• Molecular Weight: 224.05
• EINECS: 622-004-7
• Product Categories: Building Blocks;Isoquinoline;organic building block
• Mol File: 3951-95-9.mol
• Article Data: 14

Chemical Properties

• Melting Point: 248-249 °C (decomp)(Solv: acetic acid (64-19-7); water (7732-18-5))
• Boiling Point: 408 °C at 760 mmHg
• Flash Point: 200.5 °C
• Appearance: /
• Density: 1.666 g/cm³
• Vapor Pressure: 7.26E-07mmHg at 25°C
• Refractive Index: 1.654
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 11.91±0.40(Predicted)
• CAS DataBase Reference: 4-BROMO-1(2H)-ISOQUINOLONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BROMO-1(2H)-ISOQUINOLONE(3951-95-9)
• EPA Substance Registry System: 4-BROMO-1(2H)-ISOQUINOLONE(3951-95-9)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26
• WGK Germany: 3
• Hazardous Substances Data: 3951-95-9(Hazardous Substances Data)

Usage

General Description

4-Bromo-1(2H)-isoquinolone is a chemical compound with the molecular formula C9H6BrNO. It is a bromo-substituted isoquinolone derivative, which is a class of compounds known for their diverse biological activities. 4-Bromo-1(2H)-isoquinolone has been identified as a building block in the synthesis of various pharmaceuticals and agrochemicals. Its chemical structure and properties make it an important intermediate in organic synthesis, particularly in the production of medicinally relevant compounds. Additionally, it has been studied for its potential use in the development of new drugs and therapeutic agents.

InChI:InChI=1/C9H6BrNO/c10-8-5-11-9(12)7-4-2-1-3-6(7)8/h1-5H,(H,11,12)

Upstream product

• 491-30-5 1-isoquinolone 
• 491-30-5 1-hydroxyisoquinoline 
• 1532-97-4 4-bromoisoquinoline 
• 3749-21-1 4-bromoisoquinoline N-oxide 

Downstream Products

• 66728-98-1 4-bromo-1-chloroisoqionoline 
• 63125-40-6 1,2-dihydro-1-oxo-4-isoquinolinecarboxaldehyde 
• 77077-83-9 4-methyl-1(2H)-isoquinolinone 
• 108127-91-9 4-Amino-1(2H)-isoquinolinone monohydrochloride 
• 53000-96-7 4-cyano-1-hydroxyisoquinoline 
• 1616401-67-2 2-benzyl-4-(3,4-dimethoxyphenyl)isoquinolin-1(2H)-one 
• 1616401-68-3 2-benzyl-4-(3,5-dimethylisoxazol-4-yl)isoquinolin-1(2H)-one 
• 1616401-69-4 2-benzyl-4-(3,4,5-trimethoxyphenyl)isoquinolin-1(2H)-one 
• 1616401-70-7 2-benzyl-4-(4-hydroxy-3-methoxyphenyl)isoquinolin-1(2H)-one 
• 1616401-73-0 2-benzyl-4-((3,4,5-trimethoxyphenyl)amino)isoquinolin-1(2H)-one 
• 33930-63-1 4-bromo-2-methyl-1,2-dihydroisoquinolin-1-one 
• 746668-73-5 4-bromo-1-methoxyisoqionoline 
• 351324-72-6 1-chloroisoquinoline-4-carbaldehyde 
• 1005772-69-9 1-methoxy-4-isoquinolinecarboxaldehyde 

Relevant articles and documents

RADICAL ION PAIR MECHANISM OF PHOTOCHEMICAL ISOMERIZATION OF ISOQUINOLINE N-OXIDE IN HYDROXYLIC SOLVENTS, INCLUDING THE MAGNETIC FIELD EFFECT

It was found that, while the photochemical isomerization of isoquinoline N-oxide into lactam shows magnetic field effect due to HFI-J mechanism, the N-oxides bearing an electron-donating substituent are insensitive to an external magnetic field.The results support strongly "radical ion pair mechanism" of the photochemical isomerization.

SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME

The present invention includes substituted arylmethyl ureas and heteroarylmethyl-ureas, and compositions comprising the same, that can be used to treat or prevent hepatitis B virus (HBV) infections in a patient.

THIAZOLES AS MODULATORS OF RORyt

The present invention comprises compounds of Formula I. Formula I wherein: R1, R2, R3, R4, R5, R7, R8, and (A) are defined in the specification. The invention also comprises a co