2-Hydroxy-1,4-naphthoquinone 2-Hydroxy-1,4-naphthoquinone

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:83-72-7

MDL number:MFCD00001678

EINECS number:201-496-3

RTECS number:QL8200000

BRN number:1565260

PubChem number:24895653

Physical property data

1. Characteristics: bright yellow prismatic crystals.

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC): 195-196℃(decomposition)

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive Index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 44.49

2. Molar volume (m³/mol）：117.5

3. isotonic specific volume (90.2K):343.8

4. Surface Tension (dyne/cm):73.2

5. Polarizability（10^-24cm³):17.63

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.9

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 3

6. Topological molecule polar surface area 54.4

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 291

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: 1

Properties and stability

None yet

Storage method

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

Synthesis method

Will1,2-Naphthoquinone -4-Ammonium sulfonate and sulfur react in methanol to obtain methoxynaphthalene Quinone is then hydrolyzed with sodium hydroxide to obtain2-hydroxy-1,4-Naphthoquinone. Yield58-65%.

Purpose

Hair dye, fungicide .

Number of stereocenters: 0

12. Uncertain number of stereocenters of atoms: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

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

Synthesis method

Will1,2-Naphthoquinone -4-Ammonium sulfonate and sulfur react in methanol to obtain methoxynaphthalene Quinone is then hydrolyzed with sodium hydroxide to obtain2-hydroxy-1,4-Naphthoquinone. Yield58-65%.

Purpose

Hair dye, fungicide .