m-Fluorophenylacetic acid
Structural formula
| Business number | 0493 |
|---|---|
| Molecular formula | C8H7FO2 |
| Molecular weight | 154.14 |
| label |
m-Fluorophenylacetic acid, 3-fluorophenyl acetic acid, m-Fluoromethylphenylacetic acid, RARECHEM AL BO 0121, M-FLUOROPHENYLACETIC ACID, 3-fluoro-benzeneaceticaci, 3-Fluorophenlacetic acid, Acetic acid, (m-fluorophenyl)-, Benzeneacetic acid, 3-fluoro-, 3-FLUOROPHENYLACETIC ACID, 3-Fluorophenylacetic acid, 97+% |
Numbering system
CAS number:331-25-9
MDL number:MFCD00004331
EINECS number:206-360-7
RTECS number:None
BRN number:775898
PubChem ID:None
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): Not available
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): 44-48
Boiling point (ºC, normal pressure): 151
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: Not available
Flash Point (ºC): >110
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 Character: 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: 37.36
2. Molar volume (m3/mol）：121.0
3. isotonic specific volume (90.2K):312.7
4. Surface Tension (dyne/cm): 44.5
5. Polarizability（10-24cm3):14.81
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: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 37.3
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 147
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
Used as pharmaceutical intermediate
