Structural formula
| Business number | 03A8 |
|---|---|
| Molecular formula | C7H3ClF3NO2 |
| Molecular weight | 225.55 |
| label |
5-Chloro-2-nitro-α,α,α-trifluorotoluene, 5-Chloro-2-nitrobenzotrifluoride, ClC6H3(NO2)CF3, aromatic compounds |
Numbering system
CAS number:118-83-2
MDL number:MFCD00007298
EINECS number:204-280-7
RTECS number:None
BRN number:1973477
PubChem number:24892835
Physical property data
1. Characteristics: Yellow liquid.
2. Density (g/mL,25℃): 1.526
3. Relative vapor density (g/mL,Air =1): Undetermined
4. Melting point (ºC): 21
5. Boiling point (ºC,normal pressure):222-224
6. Boiling point (ºC,kPa): Undetermined
7. Refractive index:1.499-1.501
8. Flashpoint (ºC):102
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,25ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
2、 Molar volume (m3/mol): 146.7
3、 Isotonic specific volume (90.2K) ：355.8
4, Surface Tension (dyne/cm):34.5
5、 Polarizability (10-24cm3):16.91
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: 5
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 45.8
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 228
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
Avoid contact with oxides.
Storage method
Save in a cool, dry place. Make sure the workspace has good ventilation. Store away from oxidizing agents.
Synthesis method
None yet
Purpose
None yet
t-kerning: 0pt”>10-24cm3):16.91
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: 5
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 45.8
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 228
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
Avoid contact with oxides.
Storage method
Save in a cool, dry place. Make sure the workspace has good ventilation. Store away from oxidizing agents.
Synthesis method
None yet
Purpose
None yet
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