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1-Isoquinolinecarbonitrile

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1-Isoquinolinecarbonitrile Basic information

Product Name:
1-Isoquinolinecarbonitrile
Synonyms:
  • ISOQUINOLINE-1-CARBONITRILE
  • 1-CYANOISOQUINOLINE
  • 1-ISOQUINOLINECARBONITRILE
  • TIMTEC-BB SBB002487
  • 1-Cyanoisoquinoline 98%
  • ISOQUINOLIN-4-YLAMINE
  • soquinoline-1-carbonitrile
  • Isoquinaldinic nitrile
CAS:
1198-30-7
MF:
C10H6N2
MW:
154.17
EINECS:
627-280-2
Product Categories:
  • Building Blocks
  • Chemical Synthesis
  • Quinolines, Isoquinolines & Quinoxalines
  • Quinoline&Isoquinoline
  • Quinolines, Isoquinolines & Quinoxalines
  • Heterocyclic Building Blocks
  • Heterocyclic Series
  • Quinolines
  • Building Blocks
  • Heterocyclic Building Blocks
  • Isoquinolines
Mol File:
1198-30-7.mol
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1-Isoquinolinecarbonitrile Chemical Properties

Melting point:
90-92 °C (lit.)
Boiling point:
348.9±15.0 °C(Predicted)
Density 
1.21±0.1 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
pka
-0.48±0.30(Predicted)
Water Solubility 
Insoluble in water.
BRN 
119104
CAS DataBase Reference
1198-30-7(CAS DataBase Reference)
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Safety Information

Hazard Codes 
Xn,Xi
Risk Statements 
20/21/22-36/37/38
Safety Statements 
26-37/39
RIDADR 
3276
WGK Germany 
3
Hazard Note 
Irritant
HazardClass 
6.1
PackingGroup 
III
HS Code 
2933499090

MSDS

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1-Isoquinolinecarbonitrile Usage And Synthesis

Uses

1-Isoquinolinecarbonitrile may be used as starting reagent in the syntheses of imidazo[5,1-a]isoquinolines.

Preparation

Phosphoryl chloride (0.54 g, 3.5 mmol) in chloroform (5 mL) was added dropwise to a solution of the requisite carbaldoxime (0.2 g, 1.2 mmol) in chloroform (10 mL) under ice-cooling. The mixture was heated under reflux for 4 h, treated with iced water, and the resulting precipitate was filtered off. The filtrate was basified with 28% ammonia and then extracted with chloroform to give 1-cyanoisoquinoline 1440; yield 0.17 g (95%).

Synthesis Reference(s)

The Journal of Organic Chemistry, 49, p. 4056, 1984 DOI: 10.1021/jo00195a036
Tetrahedron Letters, 19, p. 589, 1978

General Description

Effect of magnetic field on the photosubstitution reaction of 1-isoquinolinecarbonitrile in ethanol has been reported. Conjugated polynitrile, plasma-polymerized 1-isoquinolinecarbonitrile (PPIQCN) has been prepared by plasma polymerization.

1-Isoquinolinecarbonitrile Preparation Products And Raw materials

Raw materials

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