Structural formula
| Business number | 05UT |
|---|---|
| Molecular formula | C10H5F3O3 |
| Molecular weight | 230.14 |
| label |
7-hydroxy-4-trifluoromethylcoumarin, Trifluoromethylumbelliferone, aromatic compounds |
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
