Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate

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: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