1,1,1-trifluoro-2,4-pentanedione

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:367-57-7

mdl number:mfcd00000427

einecs number:206-698-5

rtecs number:none

brn number:1705177

pubchem number:24854129

physical property data

一 , physical property data

traits ：colorless or light yellow transparent liquid.

density (g/ml,25/4℃): 1.270

relative vapor density (g/ml, air=1)：not available

melting point (ºc): not available

boiling point (ºc, normal pressure): 105-107

boiling point (ºc, 5.2kpa): not available

refraction rate: 1.3893

flash point (ºc): 26

optical rotation (º): not available

spontaneous combustion point or ignition temperature (ºc): not available

steam pressure (kpa, 25ºc): not available

saturated vapor pressure (kpa, 60ºc): not available

burn heat (kj/mol):not available

critical temperature (ºc): not available

critical pressure (kpa): not available

oil and water log value of the (octanol/water) partition coefficient:not available

explosion upper limit (%, v/v): not available

explosion lower limit (%, v/v): not available

dissolve sex: easily soluble in benzene, chloroform and other organic solvents, and soluble in water.

toxicological data

two , toxicological data:

acute toxicity:not available .

ecological data

three , ecological data:

1 ,other harmful effects: this substance may be harmful to the environment, and special treatment should be given to water bodies. notice.

molecular structure data

1. molar refractive index: 25.72

2. molar volume (m³/mol）：121.7

3. isotonic specific volume (90.2k):264.8

4. surface tension (dyne/cm

toxicological data

two , toxicological data:

acute toxicity:not available .

ecological data

three , ecological data:

1 ,other harmful effects: this substance may be harmful to the environment, and special treatment should be given to water bodies. notice.

molecular structure data

1. molar refractive index: 25.72

2. molar volume (m³/mol）：121.7

3. isotonic specific volume (90.2k):264.8

4. surface tension (dyne/cm):22.4

5. polarizability（10^-24cm³):10.19

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.9

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 2

5. number of tautomers: 5

6. topological molecule polar surface area 34.1

7. number of heavy atoms: 10

8. surface charge: 0

9. complexity: 159

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

none yet

storage method

should be sealed and stored in a cool place.

synthesis method

none yet

purpose

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5. polarizability（10^-24cm³):10.19

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.9

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 2

5. number of tautomers: 5

6. topological molecule polar surface area 34.1

7. number of heavy atoms: 10

8. surface charge: 0

9. complexity: 159

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

none yet

storage method

should be sealed and stored in a cool place.

synthesis method

none yet

purpose

solvent. gas chromatography analysis separates chromium and rhodium. extracting agent. chelating agents. identification, separation and purification of inorganic ions. organic synthesis. span>