1-Isoquinolinecarboxylic acid

Basic Information

View in Editor

CAS Number

486-73-7

Molecular Formula

C10H7NO2

Molecular Weight

173.17 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

Melting Point

164 °C (dec.)

Boiling Point

405.6°C at 760 mmHg

Flash Point

8 °F

Refractive Index

n20/D 1.358(lit.)

SMILES

View in Editor

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

InChI

InChI=1S/C10H7NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H,12,13)

InChIKey

XAAKCCMYRKZRAK-UHFFFAOYSA-N

LogP

1.9329999999999996

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

205

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Isoquinioline-1-carboxylic acid
W-106045
Isoquinoline-1-carboxylic acid, 99%
Isoquinoline-1-carboxylicacid
CS-W002015
F2191-0251
Isoquinoline-1-carboxylic acid, technical, >=97.0% (T)
AKOS005171622
NSC218351
1-Isoquinolinecarboxylic acid
486-73-7
AI3-61946
XAAKCCMYRKZRAK-UHFFFAOYSA-
NSC 218351
SY018979
FT-0607986
isoquinolinecarboxylic acid
1-isoquinoline carboxylic acid
AM20070108
isoquinoline-1carboxylic acid
BB 0253757
AP-065/40744548
1-isoquinoline-carboxylic acid
SCHEMBL287165
MFCD00006901
STR06344
1-Carboxyisoquinoline
isoquinolinic acid
FS-1571
SB37327
Z844451606

MDL Number

MFCD00006901

Customs Code

29334990

FAQ

What are the physical and chemical properties of 1-Isoquinolinecarboxylic acid (CAS: 486-73-7)?

1-Isoquinolinecarboxylic acid is a crystalline solid with a molecular weight of approximately 158.17 g/mol. It is slightly soluble in water and has a pKa of about 3.5. Chemically, it is a weak acid and can undergo reactions such as esterification and amide formation.

How is 1-Isoquinolinecarboxylic acid (CAS: 486-73-7) typically synthesized?

1-Isoquinolinecarboxylic acid is often synthesized via the condensation of isoquinoline with carbon dioxide. This process can be catalyzed by an appropriate acid or base. The yield can be improved by using a suitable catalyst, such as p-toluenesulfonic acid, and optimizing reaction conditions.

What industries use 1-Isoquinolinecarboxylic acid (CAS: 486-73-7)?

1-Isoquinolinecarboxylic acid is used in the pharmaceutical industry for the synthesis of certain drugs, and in the polymer industry as a cross-linking agent. It is also utilized in the production of sensors and as a precursor in semiconductor manufacturing.

What precautions should be taken when handling 1-Isoquinolinecarboxylic acid (CAS: 486-73-7)?

When handling 1-Isoquinolinecarboxylic acid, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Always work in a well-ventilated area or fume hood to avoid inhalation of fumes. Spills should be cleaned up immediately using suitable absorbents, and the material safety data sheet (MSDS) should be consulted for detailed handling instructions.