7-Hydroxy-4-(trifluoromethyl)coumarin

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:575-03-1

MDL number:MFCD00037578

EINECS number:None

RTECS number:None

BRN number:210932

PubChem number:24889576

Physical property data

1. Physical property data

1. Melting point (ºC): 178-180

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index:46.43

2. Molar volume (m³/mol）：146.5

3. isotonic specific volume (90.2K):380.9

4. Surface Tension (dyne/cm):45.5

5. Polarizability（10^-24cm³):18.40

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: 6

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: 16

8. Surface charge: 0

9. Complexity: 335

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

Stability and reactivity:

Materials to avoid: Oxides.

Products to be decomposed: carbon monoxide and carbon dioxide, hydrogen fluoride.

Storage method

Storage:

Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com