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