2-Methyl-1,4-naphthoquinone sodium bisulfate 2-Methyl-1,4-naphthoquinone sodium bisulfate

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:130-37-0

MDL number:MFCD00051456

EINECS number:204-987-0

RTECS number:None

BRN number:None

PubChem number:24897038

Physical property data

1. Melting point (ºC): Uncertain

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

3. Refractive index: Uncertain

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4. Flash point (ºC): Uncertain

5. Specific rotation (ºC): Uncertain

6. Autoignition point or ignition temperature (ºC ) Uncertain

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

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

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

10.        Critical temperature (ºC): Uncertain

11.        Critical pressure (KPa): Uncertain

12. The logarithmic value of the oil-water (octanol/water) partition coefficient: Uncertain

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

14. Explosion Lower limit (%, V/V): Uncertain

15. Solubility: Easily soluble in water, slightly soluble in ethanol, insoluble in ether or benzene.

Toxicological data

1. Other multiple dose toxicity: rat intravenous TDLO: 500mg/kg/9D-I

2. Mutagenicity: inhibition of human leukocyte DNA: 25umol/L

Inhibition of human cell DNA: 50umol/L

Human leukocyte mutation test system: 50umol/L

Human cell mutation test system: 25umol/L

Ecological data

None yet

Molecular structure data

None yet

Calculate chemical numbersAccording to

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 2

6. Topological molecule polar surface area 99.7

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 466

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

None yet

Storage method

None yet

Synthesis method

Using o-menaquinone as raw material, it is produced through oxidation and addition.

Purpose

It can promote the synthesis of prothrombin in the liver of livestock and poultry, and promote the synthesis of plasma coagulation factors in the liver.