Structural formula
| Business number | 04SZ |
|---|---|
| Molecular formula | C3H5F3O2 |
| Molecular weight | 130.07 |
| label |
Trifluoroacetaldehyde methyl half alcohol, Trifluoroacetaldehyde methyl half alcohol, TECH, 1-methoxy-2,2,2-trifluoro-ethano, 1-methoxy-2,2,2-trifluoroethanol, 2,2,2-trifluoro-1-methoxy-ethano, fluoralmethylhemiacetal, FLUORAL HEMIMETHYLACETAL, TRIFUOROACETALDEHYDE HEMIMETHYLACETAL, TRIFLUOROACETALDEHYDE HEMI METHYL ACETAL, TRIFLUOROACETALDEHYDE METHYL |
Numbering system
CAS number:431-46-9
MDL number:MFCD00013572
EINECS number:207-072-4
RTECS number:KL6600000
BRN number:1737758
PubChem ID:None
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): 1.36
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): Not available
Boiling point (ºC, normal pressure): 104-106
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: 1.33
Flash Point (ºC): 42
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 Character: Not available
Toxicological 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:19.64
2、 Molar volume （m3/mol)：98.6
3, Isotonic specific volume (90.2K):208.9
4、 Surface Tension （dyne/cm)：20.0
5、 Polarizability（10-24cm3 ）：7.78
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.7
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 1
5. Mutual interactions Number of isomers: None
6. Topological molecule polar surface area 29.5
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 69.4
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. The number of uncertain stereocenters of atoms: 1
13. The number of determined stereocenters of chemical bonds: 0
14. The number of uncertain stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
