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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