2-Aminotrifluorotoluene
Structural formula
| Business number | 01Z5 |
|---|---|
| Molecular formula | C7H6F3N |
| Molecular weight | 161 |
| label |
o-aminotrifluorotoluene, 2-(Trifluoromethyl)aniline, α,α,α-Trifluoro-o-toluidine, 2-(Trifluoromethyl)aniline |
Numbering system
CAS number:88-17-5
MDL number:MFCD00007718
EINECS number:201-806-7
RTECS number:XU9210000
BRN number:879494
PubChem number:24845816
Physical property data
1. Properties: colorless or light yellow liquid, irritating
2. Density (g/mL, 25/4℃): 1.282
3. Relative steam Density (g/mL, air=1): Undetermined
4. Melting point (ºC): 34
5. Boiling point (ºC, normal pressure): 68
6. Boiling point (ºC, 1.33kpa): Not determined
7. Refractive index: Not determined
8. Flash point (ºC): 55
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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19 . Solubility: decomposes when exposed to water. Has aniline smell
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 35.46
2. Molar volume (cm3/mol): 125.2
3. Isotonic specific volume (90.2K ): 290.3
4. Surface tension (dyne/cm): 28.8
5. Polarizability (10-24cm3): 14.06
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 26
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 132
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine ���Number of stereocenters of chemical bonds: 0
14. Number of stereocenters of uncertain chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
This product should be kept sealed and dry.
Synthesis method
None yet
Purpose
This product is an important intermediate for the synthesis of fluorine-containing herbicides, medicines and dyes.