Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate
Structural formula
| Business number | 05U1 |
|---|---|
| Molecular formula | C9H11F3O4 |
| Molecular weight | 240.18 |
| label |
Ethoxy-2-methylenetrifluoroacetoacetate, Medicine |
Numbering system
CAS number:571-55-1
MDL number:MFCD02677683
EINECS number:None
RTECS number:None
BRN number:None
PubChem number:24867645
Physical property data
1. Physical property data
1. Density (g/mL ,25/4℃)：1.235
2. Flashpoint ():104
3. Boiling point (ºC,1mmHg ): 80-82
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data: 1. Molar refractive index: 47.65 2. Molar volume (m3/mol）：193.8 3. isotonic specific volume (90.2K):446.6 4. Surface Tension (dyne/cm):28.1 5. Polarizability（10-24cm3):18.89
Compute chemical data
4. Calculated chemical data:
1. Hydrophobic parameters Calculate reference value (XlogP）：3.5
2. Hydrogen Bonding Number of donors: 1
3. Hydrogen Bonding Number of receptors: 2
4. Rotatable Number of chemical bonds: 4
5. Topological molecules Polar surface area (TPSA）：37.3
6. Heavy atoms Quantity: 15
7. Surface charge ：0
8. Complexity ：203
9. Isotope atomic number:0
10. Determine the number of atomic stereocenters:0
11. Uncertain number of atomic stereocenters:1
12. Determine the number of stereocenters of chemical bonds:0
13. Uncertain number of chemical bond stereocenters:0
14. Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None