2,2,3,3-Tetrafluoro1,4-butanediol
Structural formula
| Business number | 04SH |
|---|---|
| Molecular formula | C4H6O2F4 |
| Molecular weight | 162.08 |
| label |
Tetrafluorobutanediol, 2,2,3,3-Tetrafluoro-1,4-butanediol, 1,4-DIHYDROXY-2,2,3,3-TETRAFLUOROBUTANE, 2,2,3,3-TETRAFLUOROBUTANE-1,4-DIOL, 2,2,3,3-TETRAFLUORO-1,4-BUTANEDIOL, 2,2,3,3-Tetrafluorobutane-1,4-diol 97%, 2,2,3,3-Tetrafluorobutane-1,4-diol97% |
Numbering system
CAS number:425-61-6
MDL number:MFCD00042375
EINECS number:000-000-0
RTECS number:None
BRN number:1745847
PubChem ID:None
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): Not available
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): 85-87
Boiling point (ºC, normal pressure): 110-112
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: Not available
Flash Point (ºC): 110-112
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 Properties: Not available
��Physical 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:24.23
2、 Molar volume（m3/mol)：111.4
3、 Isotonic specific volume (90.2K):252.9
4、 Surface tension（dyne/cm)：26.5
5、 Polarizability(10-24cm3）：9.60
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 99.8
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
None yet
Synthesis method
None yet
Purpose
None yet
