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
• 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: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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