structural formula
| business number | 03d5 |
|---|---|
| molecular formula | c7h5f3n2o2 |
| molecular weight | 206.12 |
| label |
2-amino-5-nitrotrifluorotoluene, 4-nitro-2-trifluoromethylaniline, 2-amino-5-nitrotrifluoromethylbenzene, 2-amino-5-nitrotrifluoromethyl, 2-amino-5-nitrobenzotrifluoride, 2-amino-5-nitro-trifluorobenzene, 2-trifluoromethyl-4-nitroaniline, 4-nitro-a,a,a-trifluoro-o-toluidine, a,a,a-trifluoro-4-nitro-o-toluidine, 5-aminobenzotrifluoride, 4-nitro-2-(trifluoromethyl)aniline, heterocyclic compounds |
numbering system
cas number:121-01-7
mdl number:mfcd00007365
einecs number:204-443-2
rtecs number:none
brn number:2121347
pubchem number:24851771
physical property data
1. melting point (℃): 90-93
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index: 42.01
2. molar volume (cm3/mol): 137.0
3. isotonic specific volume (90.2k): 345.7
4. surface tension (dyne/cm): 40.5
5. polarizability (10-24cm3): 16.65
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 6
4. number of rotatable chemical bonds: 0
5. number of tautomers: none
6. topological molecule polar surface area 71.8
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 226
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
storage method
none
synthesis method�
none
purpose
none
微信扫一扫打赏
