1-Isoquinolinol

Basic Information

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CAS Number

491-30-5

Molecular Formula

C9H7NO

Molecular Weight

145.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

211-214 °C

Boiling Point

376.252ºC at 760 mmHg

Density

1.189 g/cm3

Flash Point

218.788℃

SMILES

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C1=CC=C2C(=C1)C=CNC2=O

InChI

InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)

InChIKey

VDBNYAPERZTOOF-UHFFFAOYSA-N

LogP

1.5281

Topological Polar Surface Area

32.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

198

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Isoquinolin-1-one
2H-Isoquinolin-1-one
NS00042904
Isocarbostyril
isoquinolin-2(1H)-one
AC-3150
CHEMBL339695
AB1219
AE-842/31875012
2(1H)-ISOQUINOLINONE
BDBM50068775
C06324
isoquinolinol
J-504795
1-oxo-1,2-dihydroisoquinoline
AM20061248
A7360
Z56960237
1(2H)-ISOQUINILONE
SY004064
491-30-5
UNII-95EG3HGG1P
BCP26501
EN300-17570
HY-W002014
Isoquinolone
isoquinolin-1-ol
oxidoisoquinolinium
GS-6582
AKOS001059571
489453-23-8

MDL Number

MFCD00006899

Customs Code

2933499090

FAQ

What regulatory guidelines apply to 1-Isoquinolinol (CAS: 491-30-5)?

1-Isoquinolinol (CAS: 491-30-5) is classified under GHS as a skin and eye irritant. It is subject to regulations such as REACH in the EU, which requires registration, evaluation, authorization, and restriction of chemicals. In the USA, it is managed by the EPA and FDA under various laws related to chemical safety and pharmaceuticals.

Are there alternatives to 1-Isoquinolinol (CAS: 491-30-5) in synthesis?

Alternatives to 1-Isoquinolinol include other isoquinoline derivatives such as 2-isoquinolinol and 3-isoquinolinol. Other substitute reagents might include quinoline and its derivatives, which can be used in similar synthetic pathways. The choice of alternative depends on the desired product and specific reaction conditions.

What is the market or research trend for 1-Isoquinolinol (CAS: 491-30-5)?

The market for 1-Isoquinolinol is growing due to its use in pharmaceuticals and research, particularly in developing drugs for neurological and gastrointestinal conditions. Research trends focus on its role as a precursor in natural product synthesis and its potential as an antiviral agent. Increasing demand in the pharmaceutical industry drives market expansion.

How should waste containing 1-Isoquinolinol (CAS: 491-30-5) be handled?

Waste containing 1-Isoquinolinol (CAS: 491-30-5) should be collected in appropriate containers labeled with the chemical name and concentration. It should be neutralized if necessary and then disposed of through a hazardous waste management facility. Environmental protection precautions include ensuring proper containment to prevent soil and water contamination during disposal.