quinoline-4-carboxylic acid

structural formula

• 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