fluorothiophenol
structural formula
| business number | 04hw |
|---|---|
| molecular formula | c6h5fs |
| molecular weight | 128.17 |
| label |
4-fluorothiophenol, 4-mercaptofluorobenzene, 4-fluorobenzenethiol, 4-mercaptofluorobenzene, aromatic fluoride |
numbering system
cas number:371-42-6
mdl number:mfcd00004846
einecs number:206-737-6
rtecs number:none
brn number:1446350
pubchem number:24871078
physical property data
一 , physical property data
traits ：colorless transparent liquid
density (g/ml,25/4℃): 1.203
relative vapor density (g/ml, air=1)：not available
melting point (ºc): 43-46
boiling point (ºc, normal pressure): 164-168
boiling point (ºc, 5.2kpa): not available
refractive index: 1.550
flash point (ºc): not available
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: 34.42
2. molar volume (m3/mol）：106.2
3. isotonic specific volume (90.2k):262.8
4. surface tension (dyne/cm):37.4
5. polarizability（10-24cm3):13.64
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: 2
4. number of rotatable chemical bonds: 0
5. number of tautomers: 2
6. topological molecule polar surface area 1
7. number of heavy atoms: 8
8. surface charge: 0
9. complexity: 66.9
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
storage method
none
synthesis method
none
purpose
used in the synthesis of pesticides, medicines and dyes
