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Merck

I28208

Isoquinoline

97%

Synonym(s):

β-Quinoline, 2-Azanaphthalene, 2-Benzazine, Benzopyridine

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About This Item

Empirical Formula (Hill Notation):
C9H7N
CAS Number:
119-65-3
Molecular Weight:
129.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24896011
EC Number:
204-341-8
Beilstein/REAXYS Number:
107549
MDL number:
MFCD00006898
Assay:
97%

Key Documents

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InChI key

AWJUIBRHMBBTKR-UHFFFAOYSA-N

InChI

1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H

SMILES string

c1ccc2cnccc2c1

assay

97%

refractive index

n20/D 1.623 (lit.)

bp

242-243 °C (lit.)

mp

26-28 °C (lit.)

density

1.099 g/mL at 25 °C (lit.)

Quality Level

100

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Application

Isoquinoline can be used as:
  • A catalyst in the synthesis of poly(imide)s.
  • A reactant in the synthesis of N-benzyl isoquinoline-1,3,4-triones using iodine as a catalyst.
  • A reactant in the synthesis of 2H-imidazo[5,1-a]isoquinolinium chloride.

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Irrit. 2 - Skin Irrit. 2

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 2

flash_point_f

215.6 °F - closed cup

flash_point_c

102 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
STBK2011
STBJ7583
STBJ4640
STBJ1852
STBG4839V

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Cascade Synthesis of Functionalized 2H-Imidazo [5, 1-a] isoquinolinium Chlorides from Isoquinoline, Chloroformamidines (= Carbamimidoyl Chlorides), and Isocyanides
Yavari I, et al.
Helvetica Chimica Acta, 93(1), 72-76 (2010)
Intrinsically microporous poly (imide) s: structure- porosity relationship studied by gas sorption and X-ray scattering
Ritter N, et al.
Macromolecules, 44(7), 2025-2033 (2011)
Iodine-catalyzed oxidative multiple C-H bond functionalization of isoquinolines with methylarenes: an efficient synthesis of isoquinoline-1, 3, 4 (2 H)-triones
Zhu D, et al.
Organic & Biomolecular Chemistry, 15(34), 7112-7116 (2017)
Vikas Tyagi et al.
Organic letters, 14(12), 3126-3129 (2012-05-26)
A novel ligand-free palladium-catalyzed cascade reaction for the synthesis of highly diverse isoquinolin-1(2H)-one derivatives from isocyanide and amide precursors synthesized by Ugi-MCR has been developed. A broad variety of acids, amines, and isocyanides were used as starting materials for Ugi-MCR
Yu Lei et al.
Food chemistry, 136(3-4), 1117-1121 (2012-12-01)
Overexpression of P-glycoprotein (P-gp) and multidrug resistance-associate protein 1 (MRP1) is a major mechanism leading to multidrug resistance (MDR) of cancer cells. These transporters expel anti-cancer drugs and greatly impair therapeutic efficacy of chemotherapy. A Chinese herbal plant Yanhusuo (Corydalis
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