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Isoquinolin-1(2H)-one

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Identification
Molecular formula
C9H7NO
CAS number
491-36-1
IUPAC name
2H-isoquinolin-1-one
State
State

At room temperature, Isoquinolin-1(2H)-one is in a solid state.

Melting point (Celsius)
192.00
Melting point (Kelvin)
465.15
Boiling point (Celsius)
401.00
Boiling point (Kelvin)
674.15
General information
Molecular weight
145.16g/mol
Molar mass
145.1590g/mol
Density
1.4250g/cm3
Appearence

Isoquinolin-1(2H)-one typically appears as a white to off-white crystalline solid. It is a stable compound under normal conditions.

Comment on solubility

Solubility of 2H-isoquinolin-1-one

2H-isoquinolin-1-one, known for its unique structural features, exhibits interesting solubility characteristics that can affect its usability in various chemical applications. Generally, its solubility can be described as follows:

  • Solvent Specificity: The solubility of 2H-isoquinolin-1-one varies significantly depending on the solvent. It is typically more soluble in polar organic solvents such as ethanol and dimethyl sulfoxide (DMSO).
  • Temperature Dependence: Like many organic compounds, the solubility can increase with rising temperature, indicating that heating the solution may be beneficial in achieving higher concentrations.
  • Water Solubility: This compound displays limited solubility in water, which can limit its application in aqueous environments and necessitate alternative solvent choices for dissolution.
  • pH Influence: The solubility might also be affected by the pH of the solution, suggesting that adjusting pH could enhance its solubility under certain conditions.

To summarize, while 2H-isoquinolin-1-one shows promising solubility in various organic solvents, care must be taken regarding its limited water solubility and the specific conditions under which it is utilized. As with many compounds in organic chemistry, understanding the solubility profile is crucial for optimizing its use in synthesis and application.

Interesting facts

Interesting Facts about 2H-isoquinolin-1-one

2H-isoquinolin-1-one is a fascinating compound that features prominently in the realm of organic chemistry. Below are some key points that highlight its significance:

  • Structural Diversity: The compound belongs to the isoquinoline family, which is characterized by a fused ring system. This structural arrangement lends itself to a wide variety of chemical behaviors and potential reactivity.
  • Biological Importance: Isoquinolines, including 2H-isoquinolin-1-one, are often associated with various biological activities. They have been studied for their potential as pharmacological agents, exhibiting properties such as anti-cancer, anti-inflammatory, and anti-microbial effects.
  • Applications in Synthesis: This compound serves as an important building block in organic synthesis. It is often utilized in the development of complex molecules, particularly in pharmaceuticals and agrochemicals, showcasing the versatility of its chemistry.
  • Electron Dynamics: The unique electron configuration of 2H-isoquinolin-1-one helps in understanding the electronic properties of related compounds, making it a great subject for research in materials science and nanotechnology.
  • Research Interest: Recent studies have focused on its role as a potential ligand in coordination compounds, leading to innovative research in catalysis and material sciences.

In conclusion, 2H-isoquinolin-1-one not only embodies a unique structural form but also plays a pivotal role in various chemical and biological avenues that could lead to significant advancements in science.

Synonyms
1-Hydroxyisoquinoline
491-30-5
Isoquinolin-1(2H)-one
Isocarbostyril
2H-Isoquinolin-1-one
1-Isoquinolinol
1(2H)-ISOQUINOLINONE
Isoquinolin-1-one
1(2H)-Isoquinolone
Isoquinolone
95EG3HGG1P
Isocarbostyril (VAN)
CHEBI:18350
EINECS 207-732-1
NSC 27273
NSC-27273
2(1H)-ISOQUINOLINONE
AI3-62131
1-oxo-1,2-dihydroisoquinoline
DTXSID10197677
Isocarbostyril (VAN) (8CI)
DTXCID70120168
207-732-1
inchi=1/c9h7no/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6h,(h,10,11
isoquinolin-1-ol
489453-23-8
87602-67-3
1,2-dihydroisoquinolin-1-one
MFCD00006899
CHEMBL339695
isoquinolinol
Isoquinolinone
1(2H)-ISOQUINILONE
oxidoisoquinolinium
4YS
MFCD00489132
Isocarbostyril, 98%
1-(2H)-isoquinolone
isoquinolin-2(1H)-one
isoquinoline, 1-hydroxy-
UNII-95EG3HGG1P
Oprea1_201307
SCHEMBL57212
SCHEMBL3527162
SCHEMBL8327294
HMS1760O13
ALBB-023588
BCP23848
BCP26501
NSC27273
AB1219
BDBM50068775
AKOS001059571
AKOS007930083
AC-3150
CS-W002014
FH24372
GS-6582
HY-W002014
SB37336
PD180480
SY004064
DB-013848
DB-375353
NS00042904
EN300-17570
C06324
AE-842/31875012
W-60387
Q27103017
Z56960237
1(2H)-Isoquinolinone;Isocarbostyril;1(2H)-Isoquinolone