13130-79-5

Basic information

• Product Name: 1-BROMOISOQUINOLIN-3-AMINE
• Synonyms: 1-BROMOISOQUINOLIN-3-AMINE;1-BROMOISOQUINOLIN-3-YLAMINE;1-BROMOISOQUINOLINE-3-AMINE;3-AMINO-1-BROMOISOQUINOLINE;3-Amino-1-bromoisoquinoline 98%;1-BroMo-iso-3-aMino-quinoline;3-AMino-1-broMoisoquinoline, 97+%;1-Bromo-3-isoquinolinamine
• CAS NO: 13130-79-5
• Molecular Formula: C₉H₇BrN₂
• Molecular Weight: 223.07
• Mol File: 13130-79-5.mol
• Article Data: 2

Chemical Properties

• Melting Point: 144 °C
• Boiling Point: 387.8 °C at 760 mmHg
• Flash Point: 188.3 °C
• Appearance: /
• Density: 1.649 g/cm³
• Vapor Pressure: 3.21E-06mmHg at 25°C
• Refractive Index: 1.732
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 1.73±0.50(Predicted)
• Water Solubility: Slightly soluble in water.
• Sensitive: Air Sensitive
• CAS DataBase Reference: 1-BROMOISOQUINOLIN-3-AMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BROMOISOQUINOLIN-3-AMINE(13130-79-5)
• EPA Substance Registry System: 1-BROMOISOQUINOLIN-3-AMINE(13130-79-5)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 13130-79-5(Hazardous Substances Data)

Usage

Uses

3-Amino-1-bromoisoquinoline is used as pharmaceutical intermediate.

InChI:InChI=1/C9H7BrN2/c10-9-7-4-2-1-3-6(7)5-8(11)12-9/h1-5H,(H2,11,12)

Upstream product

• 3759-28-2 (2-cyanophenyl)acetonitrile 

Downstream Products

• 127745-76-0 1-(p-chlorophenoxy)isoquinoline-3,4-diamine 
• 127745-73-7 N-[1-(4-Chloro-phenoxy)-isoquinolin-3-yl]-acetamide 
• 127745-75-9 1-(p-chlorophenoxy)-4-nitroisoquinolin-3-amine 
• 127745-77-1 6-(p-chlorophenoxy)-2-methylpyrazino<2,3-c>isoquinolin-3(4H)-one 
• 127745-78-2 3-chloro-6-(p-chlorophenoxy)-2-methylpyrazino<2,3-c>isoquinoline 
• 127745-74-8 N-[1-(4-Chloro-phenoxy)-4-nitro-isoquinolin-3-yl]-acetamide 
• 890843-29-5 tert-butyl N-(1-bromoisoquinolin-3-yl)carbamate 
• 1076-36-4 1-bromo-3-fluoroisoquinoline 
• 1452824-36-0 1-(2-nitrophenyl)isoquinolin-3-amine 
• 25475-67-6 isoquinolin-3-amine 
• 1152274-52-6 N-(1-bromoisoquinolin-3-yl)-1-(4-methoxyphenyl)cyclopropanecarboxamide 
• 109000-47-7 [5-Ethoxy-2-(4-methoxy-phenyl)-imidazo[4,5-c]isoquinolin-1-yl]-(4-methoxy-phenyl)-amine 
• 106052-10-2 1-(3-diethylaminomethyl-4-hydroxyanilino)-3-methyl-6-(p-methylphenoxy)benzo<1,8>naphthyridine 
• 106052-06-6 1-(p-methoxyanilino)-3-methyl-6-(p-methylphenoxy)benzo<1,8>naphthyridine 

Relevant articles and documents

Synthesis and spectroscopic characterization of group 4 post-metallocenes bearing (σ-aryl)-2-phenolate-6-pyridyl and -isoquinolinyl auxiliaries

A new series of group 4 bis(benzyl) complexes supported by (σ-aryl)-2-phenolate-6-pyridyl [O,C,N] ligands have been prepared, and all derivatives have been characterized by multinuclear NMR spectroscopy. In the 1H NMR spectrum of the Ti derivative where [N] = (ortho-F)-substituted isoquinolinyl, one of the two CH2 resonances is observed as a doublet of doublets (collapsing to a normal d upon 19F-decoupling), whereas the [1H,19F]-HMQC correlation spectrum reveals a strong crosspeak for this dd resonance only, thus indicating the presence of intramolecular C-H·F-C interactions. [1H,19F]-HMBC experiments have been performed which reveal a significant scalar component for this coupling and confirm that the interactions are genuine. The contrasting NMR spectral patterns for the (ortho-F)-pyridyl Hf analogue, which exhibits two sets of non-identical doublet of doublets for the methylene resonances, have been rationalized. The activities of the isoquinolinyl-based Ti-[O,C,N] catalysts for ethylene polymerization are superior to those of pyridyl-based congeners.