4-fluoroanisole thioether
structural formula
| business number | 04hq |
|---|---|
| molecular formula | c7h7fs |
| molecular weight | 142.19 |
| label |
4-fluorophenyl methyl sulfide, 4-fluorophenyl methyl sulfide, aromatic fluoride |
numbering system
cas number:371-15-3
mdl number:mfcd00040829
einecs number:206-733-4
rtecs number:none
brn number:2041508
pubchem number:24870431
physical property data
一 , physical property data
traits ：colorless liquid
density (g/ml,25/4℃): 1.167
relative vapor density (g/ml, air=1)：not available
melting point (ºc): not available
boiling point (ºc, normal pressure): 90
boiling point (ºc, 5.2kpa): not available
refractive index: 1.55-1.552
flash point (ºc): 73
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
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:39.50
2. molar volume (m3/mol):125.1
3. isotonic specific volume (90.2k): 303.4
4. surface tension (dyne/cm): 34.5
5. polarizability（10-24cm3):15.66
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.5
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 25.3
7. number of heavy atoms: 9
8. surface charge: 0
9. complexity: 77
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
