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
