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
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