2′,4′-dimethyl-2-hydroxy-3-naphthol

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:92-75-1

mdl number:mfcd00021633

einecs number:202-186-0

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. character: crystal.

2. density (g/ml,25/4℃)： undetermined

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc): undetermined

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc): undetermined

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. oil and water (octanol/log value of partition coefficient for water: undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: undetermined

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 90.20

2. molar volume (m³/mol）：233.4

3. isotonic specific volume (90.2k)：641.0

4. surface tension (dyne/cm):56.8

5. polarizability（10^-24cm³): 35.75

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 4.9

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 2

5. number of tautomers: 9

6. topological molecule polar surface area 49.3

7. number of heavy atoms: 22

8. surface charge: 0

9. complexity: 397

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

none yet

synthesis method

should be sealed and stored in a cool and dry place

purpose

substrate for the determination of esterase by enzyme systems in histochemistry. span>

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