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