3-Chlorofluorobenzene
Structural formula
| Business number | 06SN |
|---|---|
| Molecular formula | C6H4ClF |
| Molecular weight | 130.55 |
| label |
3-Fluorochlorobenzene, m-chlorofluorobenzene, m-fluorochlorobenzene, 1-Chloro-3-fluorobenzene, 1-Fluoro-3-chlorobenzene, 1-Chloro-3-fluorobenzene, 1-Fluoro-3-chlorobenzene, 3-Chlorofluorobenzene |
Numbering system
CAS number:625-98-9
MDL number:MFCD00000569
EINECS number:210-919-0
RTECS number:None
BRN number:2039303
PubChem number:24849975
Physical property data
1. Properties: colorless liquid.
2. Density (g/mL, 25/4℃): 1.221
3. Gas phase standard entropy (J·mol-1·K-1): 338.1
4. Gas phase standard hot melt (J·mol-1·K-1): 110.17
5. Boiling point (ºC, normal pressure): 127.6
6. Refractive index at room temperature (n20): 1.4950
7. Refractive index: 1.494
8. Flash point (ºC): 20
9. Refractive index at room temperature (n25): 1.491127
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Insoluble in water , soluble in alcohol, ether, benzene, etc.
Toxicological data
None yet
Ecological data
Do not allow large quantities of products that are slightly harmful to water to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 31.14
2. Molar volume (cm3/mol): 105.5
3. Isotonic specific volume (90.2K ): 250.2
4. Surface tension (dyne/cm): 31.5
5. Polarizability (10-24cm3): 12.34
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 0
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
Keep away from oxidizing agents.
Storage method
Store in an airtight container in a cool, dry place. Store away from oxidizing agents.
Synthesis method
None yet
Purpose
Medicine, pesticide, and liquid crystal material intermediates.
