Structural formula
| Business number | 025T |
|---|---|
| Molecular formula | C10H7NO2 |
| Molecular weight | 173.17 |
| label |
quinolinic acid, Quinoline-2-carboxylic acid, quinalcolic acid, Quinoline-2-carboxylic acid, 2-Carboxyquinoline, Quinaldic acid |
Numbering system
CAS number:93-10-7
MDL number:MFCD00006752
EINECS number:202-218-3
RTECS number:UZ9100000
BRN number:126322
PubChem number:24853508
Physical property data
1. Properties: White crystal, odorless.
2. Density (g/mL, 25/4?): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 155-157
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined Determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (kPa, 25ºC): Not determined
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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit ( %, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Soluble in ethanol and alkali solution, slightly Dissolved in water.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 49.11
2. Molar volume (cm3/mol): 129.3
3. Isotonic specific volume (90.2K ): 367.3
4. Surface tension (dyne/cm): 65.1
5. Polarizability (10-24cm3): 19.47
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 1.6
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 1
5. Number of tautomers:
6. Topological molecular polar surface.? (TPSA): 50.2
7, Number of heavy atoms: 13
8, Surface charge: 0
9, Complexity: 205
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain atomic stereocenters: 0
13. The number of determined stereocenters of chemical bonds: 0
14. The number of uncertain stereocenters of chemical bonds: 0
15. The number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be sealed and stored in a cool, dry place away from light.
Synthesis method
N-benzoyl-2-hydrogen-2-cyanoquinoline is obtained by reacting benzoyl chloride and potassium cyanide quinoline in water, and then hydrolyzed to obtain quinalcolic acid.
Purpose
Precipitant, used to test copper and determine copper, iron, zinc and uranium (can form insoluble salts with these metals).
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