5-aminoisoquinolin-1(2H)-one

Basic Information

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CAS Number

93117-08-9

Molecular Formula

C9H8N2O

Molecular Weight

160.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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

Pale-yellow to Yellow-brown Solid

Boiling Point

477.3±45.0℃ at 760 mmHg

Density

1.287

Flash Point

242.4°C

Refractive Index

1.656

SMILES

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C1=CC2=C(C=CNC2=O)C(=C1)N

InChI

InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12)

InChIKey

SVASVGVAQIVSEZ-UHFFFAOYSA-N

LogP

1.1103

Topological Polar Surface Area

58.88 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

225

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

5-aminoisoquinolin-1(2H)-one
1(2H)-Isoquinolinone,5-amino-
5-amino-1(2H)-Isoquinolinone
5-Amino-2H-isoquinoin-1-one
5-Amino-2h-isoquinolin-1-one
5-AMINOISOQUINOLIN-1-OL
5-amino-1,2-dihydroisoquinolin-1-one
5-AIQ
5-aminoisoquinolinone
4pnq
32X
5-Amino-1-isoquinolinol
5-Amino-1-hydroxyisoquinoline
BDBM27503
5-amino-isoquinolin-1(2h)-one
5-amino isoquinolin-1(2h)-one
SVASVGVAQIVSEZ-UHFFFAOYSA-N
EBD50736
CL1034
HSCI1_000395
5-Amino-1(2H)-isoquinolinone (ACI)
Isocarbostyril, 5-amino- (7CI)
5-Amino-2H-isoquinolin-1-one
CHEBI:103965
J-516735
8V3G4R3QNX
Z2236664363
SY033479
5-Azanyl-2H-isoquinolin-1-one
CHEMBL446240
AC-20662

MDL Number

MFCD11226760

Customs Code

2933790090

FAQ

What are the physical and chemical properties of 5-aminoisoquinolin-1(2H)-one (CAS: 93117-08-9)?

5-Aminoisoquinolin-1(2H)-one (CAS: 93117-08-9) is a crystalline solid with a molecular weight of approximately 158.18 g/mol. It has a pKa of approximately 11.4 and is slightly soluble in water. It is a reactive compound, especially with acidic conditions, and can undergo various reactions such as amidation and substitution.

How is 5-aminoisoquinolin-1(2H)-one (CAS: 93117-08-9) typically synthesized?

5-Aminoisoquinolin-1(2H)-one is typically synthesized via the condensation of 2-aminoisoquinoline with acetic anhydride in the presence of an acid catalyst like sulfuric acid. The reaction yields a high purity product with excellent selectivity, and the process is optimized for high yield and reproducibility.

What industries use 5-aminoisoquinolin-1(2H)-one (CAS: 93117-08-9)?

5-Aminoisoquinolin-1(2H)-one (CAS: 93117-08-9) is used in the pharmaceutical industry for the synthesis of drugs, and in the polymer industry for the development of new materials with improved properties. It also finds applications in the sensor and semiconductor industries.

What precautions should be taken when handling 5-aminoisoquinolin-1(2H)-one (CAS: 93117-08-9)?

When handling 5-aminoisoquinolin-1(2H)-one (CAS: 93117-08-9), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The material should be handled in a well-ventilated area or a fume hood due to its reactivity. Spills should be cleaned up immediately, and proper waste disposal procedures should be followed. Always consult the Safety Data Sheet (SDS) for detailed information and emergency procedures.