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
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
