7-hydroxycoumarin 7-hydroxycoumarin

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:93-35-6

mdl number:mfcd00006878

einecs number:202-240-3

rtecs number:gn6820000

brn number:127683

pubchem number:24889947

physical property data

1. characteristics: white needle-like crystals. it has a coumarin smell when heated. can be sublimated.

2. density (g/ml,25/4℃)：

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

4. melting point (ºc): 225 -228℃（230 -232℃).

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

6. boiling point (ºc,0.4kpa): undetermined

7. refractive index: undetermined

8. flashpoint (ºc): undetermined

9. specific optical rotation (º): undetermined

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

11. 1. molar refractive index:41.64

2. molar volume (m³/mol):115.5

3. isotonic specific volume (90.2k):320.8

4. surface tension (dyne/cm):59.4

5. polarizability(10^-24cm³）：16.51

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

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: 5

6. topological molecule polar surface area 46.5

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 222

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

storage method

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

synthesis method

by2,4-dihydroxyacetophenone and malic acid in the presence of sulfuric acid90-130℃ condensation removes the acetyl group to obtain umbelliferone.

purpose

used as fluorescent indicator and acid-base indicator (phfor6.5-8.0).

the polar surface area of ​​the molecule is 46.5

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 222

10. number of isotope atoms: 0

11. number of determined atomic stereocenters: 0

12. number of uncertain atomic stereocenters: 0

13. determine the 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

storage method

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

synthesis method

by2,4-dihydroxyacetophenone and malic acid in the presence of sulfuric acid90-130℃ condensation removes the acetyl group to obtain umbelliferone.

purpose

used as fluorescent indicator and acid-base indicator (phfor6.5-8.0).