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

Structural formula

Business number	04GT
Molecular formula	C5H5F3O2
Molecular weight	154.09
label	α,α,α-trifluoroacetylacetone, 1,1,1-trifluoroacetylacetone, α,α,α-Trifluoroacetylacetone, 1,1,1-Trifluoroacetylacetone, Extracting agent, chelating agent

• 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

Solvent. Gas chromatography analysis separates chromium and rhodium. Extracting agent. Chelating agents. Identification, separation and purification of inorganic ions. Organic Synthesis. SPAN>

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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>