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Sigma-Aldrich

1-Isoquinolinyl phenyl ketone

98%

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About This Item

Empirical Formula (Hill Notation):
C16H11NO
CAS Number:
Molecular Weight:
233.26
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

98%

mp

76-79 °C (lit.)

SMILES string

O=C(c1ccccc1)c2nccc3ccccc23

InChI

1S/C16H11NO/c18-16(13-7-2-1-3-8-13)15-14-9-5-4-6-12(14)10-11-17-15/h1-11H

InChI key

MDWCIKACMBMJFA-UHFFFAOYSA-N

General description

1-Isoquinolinyl phenyl ketone (iquinpk) reacts with ReCl3(MeCN)(PPh3)] complex to give [ReCl3(N-O)(PPh3)]. It also reacts with the [ReOBr3(PPh3)2] complex in acetone to yield novel complex, [ReOBr2(iquinpk-OH)(PPh3)].

Application

1-Isoquinolinyl phenyl ketone may be used in chemical synthesis.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


Certificates of Analysis (COA)

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Nucleophilic addition of water to 1-isoquinolinyl phenyl ketone. The synthesis, spectroscopic investigation, crystal and molecular structure and DFT calculations of [ReOBr2(iquinpk-OH)(PPh3)].
Machura,B, et al.
Inorganic Chemistry Communications, 12(8), 789-792 (2009)
Synthesis, spectroscopic characterization, X-ray structure and DFT calculations of rhenium (III) complex with 1-isoquinolinyl phenyl ketone.
Machura B, et al.
Polyhedron, 27(6), 1739-1746 (2008)

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