2,2,2-trifluoroacetophenone

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:434-45-7

MDL number:MFCD00000420

EINECS number:207-103-1

RTECS number:None

BRN number:1866286

PubChem number:24889525

Physical property data

1. Physical property data

Properties: Not available

Density (g/mL, 25/4℃ ): 1.2752

Relative vapor density (g/mL, air=1): Not available

Melting point (ºC): -40

Boiling point (ºC, normal pressure): 152.5

Relative density (20℃, 4℃): 1.279

Refractive index: 1.458

Refractive index at room temperature (n²⁵): 1.4528³⁰

Refractive index at room temperature (n²⁰): 1.4583

Autoignition point or ignition temperature (ºC): Not available

Vapor pressure (kPa, 25ºC): Not available

Saturated vapor pressure (kPa, 60ºC): Not available

Heat of combustion (KJ/mol): Not available

Critical temperature (ºC): Not available

Critical pressure (KPa ): Not available

Logarithmic value of oil-water (octanol/water) partition coefficient: Not available

Explosion upper limit (%, V/ V): Not available

Lower explosion limit (%, V/V): Not available

Solubility: Not available

Toxicological data

2. Toxicological data:

Acute toxicity: Not available.

Ecological data

3. Ecological data:

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

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 168

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

Storage method

None

Synthesis method

None

Purpose

None

Resource:allhdi.com