Quinoline-4-carboxylic acid

Structural formula

Business number	0534
Molecular formula	C10H7NO2
Molecular weight	173.17
label	Quinoline-4-carboxylic acid, quinolinic acid, 4-quinolinecarboxylic acid

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:486-74-8

MDL number:MFCD00006782

EINECS number:207-640-1

RTECS number:GD3850000

BRN number:5224

PubChem ID:None

Physical property data

1. Character: Undetermined

2. Density (g/ m³,25/4℃): Undetermined

3. Relative vapor density (g/cm³, Air=1): Undetermined

4. Melting point (ºC): 255

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash Point (ºF): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of partition coefficient (water): undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

Acute toxicity: mice intraperitoneally LD50: 200mg/kg, except No details other than lethal dose;

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1、 Molar refractive index:49.11

2、 Molar volume（m³/mol): 129.3

3、 Isotonic specific volume（90.2K）：367.3

4、 Surface tension（3.0 dyne/cm SPAN>):65.1

5、 Polarizability（0.5 10^-24cm³):19.47

Compute chemical data

1. Hydrophobic parameters Calculate the reference value (XlogP):0.5

2. Hydrogen Bonding Number of donors: 1

3. Hydrogen Bonding Number of receptors: 3

4. Rotatable Number of chemical bonds: 1

5. Interchange Number of isomers: Undetermined

6. Topological molecule polar surface area (TPSA): 50.2

7. Heavy Atom Quantity: 13

8. Surface Charge ：0

9. Complexity ：205

10. Isotope atomic number:0

11. Determine the number of atomic stereocenters:0

12. Uncertain number of stereocenters0

13. Determine the number of stereocenters of chemical bonds:0

14. Uncertain number of chemical bond stereocenters:0

15. Number of covalent bond units: 1

Properties and stability

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

Synthesis method

None

Purpose

None

Resource:allhdi.com