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 .