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