Potassium hydrogen oxalate Potassium Bioxalate

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:127-95-7

MDL number:MFCD00036407

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Physical property data

1. Properties: colorless crystals

2. Density (g/mL, 25/4℃): 2.0

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

4. Melting point (ºC): Uncertain

5. Boiling point (ºC, 0.67kpa or 5 mmHg): 148

6. Refractive index: Uncertain

7. Flash point (ºC): Uncertain

8. Specific rotation (ºC) : Uncertain

9. Autoignition point or ignition temperature (ºC) is uncertain

10. Vapor pressure (kPa, 25ºC): Uncertain

11 . Saturated vapor pressure (kPa, 60ºC): Uncertain

12. Heat of combustion (KJ/mol): Uncertain

13. Critical temperature (ºC): Uncertain

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14. Critical pressure (KPa): Uncertain

15. Log value of oil-water (octanol/water) partition coefficient: Uncertain

16. Explosion upper limit (%, V/V): Uncertain

17. Lower explosion limit (%, V/V): Uncertain

18. Solubility: Easily soluble in water.

Toxicological data

1. Acute toxicity: Oral TDLO for women: 100mg/kg

Oral LDLO for women: 660mg/kg

Oral TDLO for women: 400mg/kg

Intravenous injection of TDLO for men: 1071mg/kg

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 77.4

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 87.7

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters : 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 2

Properties and stability

Easily soluble in water and cannot be recrystallized from water.

Storage method

None

Synthesis method

Dissolve 12.6g oxalic acid dihydrate (0.1mol) in 300mL water. Dissolve 18.4g potassium oxalate monohydrate (0.1mol) in 100mL water. Then add the potassium oxalate aqueous solution to the oxalic acid aqueous solution at 3°C ​​and leave it at 0°C for 24 hours. The precipitated crystals are potassium hydrogen oxalate monohydrate.

Purpose

None