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).