1,1,1-trifluoro-2-propanol structural formula

1,1,1-trifluoro-2-propanol structural formula

Structural formula

Business number 04JN
Molecular formula C3H3F3O
Molecular weight 114.07


Numbering system

CAS number:374-01-6

MDL number:MFCD00014403

EINECS number:206-773-2

RTECS number:None

BRN number:1734738

PubChem number:24878458

Physical property data

1. Physical property data

Properties: Not available

Density (g/mL, 25/4℃ ): 1.279915

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

Melting point (ºC): -52

Boiling point (ºC, normal pressure): 77

Refractive index at normal temperature (n20): 1.3160

Refractive index: 1.316

Flash point (ºC): Not available

Specific rotation (º): Not available

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

Log 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

1. Molar refractive index: 17.89

2. Molar volume (cm3/mol): 92.3

3. Isotonic specific volume (90.2K ): 189.2

4. Surface tension (dyne/cm): 17.6

5. Polarizability (10-24cm3):7.09

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 57.7

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

None yet

Synthesis method

None yet


None yet

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