2,2,3,3-Tetrafluoro-1-propanol 2,2,3,3-Tetrafluoro-1-propanol

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:76-37-9

MDL number:MFCD00004676

EINECS number:200-955-5

RTECS number:UB9400000

BRN number:1738264

PubChem number:24859578

Physical property data

1. Properties: liquid

2. Density (g/mL, 25℃): 1.4853

3. Relative vapor density (g/mL, air=1): 4.56

4. Melting point (ºC): -15

5. Boiling point (ºC, normal pressure): 109.5

6. Relative density (20℃, 4℃): 1.4853

7. Refractive index at room temperature (n²⁰): 1.3197

8. Flash point (ºC): 43

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 20ºC ): Undetermined

12. Saturated vapor pressure (kPa, 20ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined Determined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Slightly soluble in benzene, toluene, chloroform, carbon tetrachloride, soluble in methanol, ether, and acetic acid

Toxicological data

1. Acute toxicity: Rat oral LD50: 3400mg/kg; mouse inhalation LC50: 2600mg/m³.

Ecological data

It is harmful to the environment and can cause pollution to water bodies.

Molecular structure data

1. Molar refractive index: 18.06

2. Molar volume (cm³/mol): 97.7

3. Isotonic specific volume (90.2K ): 198.7

4. Surface tension (dyne/cm): 17.0

5.� Polarizability (10-24cm³): 7.16

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 71.7

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

Reacts with strong oxidants and strong bases.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. They should be stored separately from oxidants and alkalis, and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None yet

Purpose

for organic synthesis