Structural formula
Business number | 04J4 |
---|---|
Molecular formula | C6H5FO |
Molecular weight | 112.10 |
label |
3-Fluorophenol, 3-Fluorphenol, FC6H4OH, aromatic fluoride |
Numbering system
CAS number:372-20-3
MDL number:MFCD00002254
EINECS number:206-748-6
RTECS number:None
BRN number:1904536
PubChem number:24870819
Physical property data
一 , physical property data
Traits :Yellow brown liquid
Density (g/mL,25/4℃): 1.236
Relative Vapor density (g/mL, air=1):Not available
Melting point (ºC): 14
Boiling point (ºC, normal pressure): 178
Boiling point (ºC, 5.2kPa): Not available
Refractive index: 1.5140
Flash Point (ºC): 71
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: 28.12
2. Molar Volume (m3/mol):92.0
3. isotonic specific volume (90.2K):229.4
4. Surface Tension (dyne/cm):38.5
5. Polarizability(10-24cm3): 11.15
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: 3
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 74.9
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 yet
Storage method
None yet
Synthesis method
None yet
Purpose
Intermediates for pharmaceuticals, pesticides and dyes.