2-furancarboxylic 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:88-14-2

MDL number:MFCD00003238

EINECS number:201-803-0

RTECS number:LV1763000

BRN number:110149

PubChem number:24894811

Physical property data

1. Properties: White monoclinic rhombus crystal, sublimates at 130-140℃ (6.67~8.0kPa).

2. Density (g/mL, 25/4℃): 1.322

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 133~134

5. Boiling point (ºC, 101.3kpa): 230~232

6. Boiling point (ºC, 2.67kpa): 141~144

7. Refractive index: Undetermined

8. Flash point (ºC): 137

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: Easily soluble in ethanol and ether, partially soluble in water: 26ml cold water (15℃ ) or 1g of furoic acid soluble in 4ml of boiling water.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 25.48

2. Molar volume (cm³/mol): 84.7

3. Isotonic specific volume (90.2K ): 223.3

4. Surface tension (dyne/cm): 48.2

5. Polarizability (10-24cm3): 10.10

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 0.5

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:

p>

6. Topological molecular polar surface area (TPSA): 50.4

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 99.8

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Uncertain atoms Number of stereocenters: 0

13. Number of determined stereocenters of chemical bonds: 0

14. Number of uncertain stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. Exists in flue-cured tobacco leaves, burley tobacco leaves, oriental tobacco leaves and smoke.

Storage method

This product should be sealed and stored in a cool, dry place away from light.

Synthesis method

1. Obtained from oxidation of furfural by air. The reaction was carried out at 45°C with vigorous stirring. The reactants are filtered to recover the catalyst copper oxide, and the filtrate is acidified with 50% sulfuric acid to a pH of 3-2.5, filtered with suction, washed with water, and dried to obtain furoic acid. Furfural can also be prepared by oxidizing furfural with sodium hypochlorite or potassium permanganate for 2 hours in a neutral or alkaline medium, and then acidifying it with hydrochloric acid, with a yield of up to 98%.

2. Tobacco: OR, 44; FC, 9; OR, 26; BU, 26.

Purpose

1. Furoic acid is used to synthesize methylfuran, furfuramide and furoate esters and salts. In the plastics industry, it can be used as plasticizer, thermosetting resin, etc. It is used as a preservative and bactericide in the food industry, as well as a coating additive and medicine. Intermediates for spices, etc.

2. Used in the synthesis of fururacil penicillin and cephalothin, etc.