Trifluoroacetone

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:421-50-1

MDL number:MFCD00000423

EINECS number:207-005-9

RTECS number:None

BRN number:1748614

PubChem number:24900365

Physical property data

1. Properties: colorless liquid with chloroform smell.

2. Density (g/mL, 20/4℃): 1.252

3. Melting point (ºC): -129

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4. Boiling point (ºC, normal pressure): 22

5. Refractive index (20ºC): 1.300

6. Flash point (ºC): -30

7. Solubility: Insoluble in water.

Toxicological data

Irritating to eyes, respiratory system and skin.

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 16.43

2. Molar volume (cm³/mol): 91.5

3. Isotonic specific volume (90.2K ): 180.1

4. Surface tension (dyne/cm): 14.9

5. Polarizability (10^-24cm³): 6.51

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 82.7

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

Tear-jerking. Extremely flammable.

Storage method

Keep sealed in a cool place.

Synthesis method��

None yet

Purpose

Used as solvent and organic synthesis intermediate.