2,4,5-trifluoroaniline
Structural formula
| Business number | 04GR |
|---|---|
| Molecular formula | C6H4F3N |
| Molecular weight | 147.10 |
| label |
None yet |
Numbering system
CAS number:367-34-0
MDL number:MFCD00007649
EINECS number:206-692-2
RTECS number:None
BRN number:2085734
PubChem number:24858836
Physical property data
一 , physical property data
Characteristics: is light pink solid particles.
Density (g/mL, 25/4℃） ： Not available
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): 59-62
Boiling point (ºC, normal pressure): Not available
Boiling point (ºC, 5.2kPa): Not available
Refractive index: Not available
Flash Point (ºC): Not available
Optical rotation (º): Not available
Spontaneous combustion Point or ignition temperature (ºC): Not available
Steam Pressure (kPa, 25ºC): Not available
saturated Vapor pressure (kPa, 60ºC): Not available
Burn Heat (KJ/mol):Not available
Critical Temperature (ºC): Not available
Critical Pressure (KPa): Not available
oil and water Log value of the (octanol/water) partition coefficient:Not available
Explosion Upper limit (%, V/V): Not available
Explosion Lower limit (%, V/V): Not available
Dissolve Properties: Not available
Toxicological data
Two , Toxicological data:
Acute Toxicity:Not available .
Ecological data
Three , Ecological data:
1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.
Molecular structure data
1. Molar refractive index:30.47
2. Molar volume (m3/mol):104.3
3. Isotonic specific volume (90.2K): 254.4
4. Surface tension (dyne/cm): 35.3
Acute toxicity: Not available .
Ecological data
Three , Ecological data:
1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.
Molecular structure data
1. Molar refractive index:30.47
2. Molar volume (m3/mol):104.3
3. Isotonic specific volume (90.2K): 254.4
4. Surface tension (dyne/cm): 35.3
5. Polarizability（10 -24cm3)：12.07
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.5
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: 10
8. Surface charge: 0
9. Complexity: 120
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 yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
margin-top-alt: auto; mso-margin-bottom-alt: auto; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt” align=left>5. Polarizability（10-24cm3): 12.07
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.5
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: 10
8. Surface charge: 0
9. Complexity: 120
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 yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
