Structural formula
| Business number | 07AA |
|---|---|
| Molecular formula | C4H2ClF3 |
| Molecular weight | 142.51 |
| label |
Alicyclic compounds |
Numbering system
CAS number:694-62-2
MDL number:MFCD00041524
EINECS number:None
RTECS number:None
BRN number:2243404
PubChem ID:None
Physical property data
1. Characteristics: colorless liquid.
2. Density (g/mL,25/4℃): 1.355
3. Relative vapor density (g/mL,Air=1 ): Undetermined
4. Melting point (ºC): 51-52
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: 1.365
8. Flashpoint (ºC): -15
9. Specific optical rotation (º): Undetermined
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. Oil and water (octanol/Logarial value of the partition coefficient of water: undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Miscible with water.
Toxicological data
None
Ecological data
Usually not harmful to water, Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 23.16 2. Molar volume（m3/ mol）：96.8 3. Isotonic specific volume（90.2K）： 203.3 4. Surface Tension（dyne/cm）：19.4 5. Dielectric constant: 6. Dipole moment（10 -24cm3)： 7. Polarizability: 9.18
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.7
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
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: 149
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 oxides and sources of fire.
Storage method
Store in an airtight container and place Store in a cool, dry place. Store away from oxidizing agents.
Synthesis method
None
Purpose
None
