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
