4-amino-3-trifluoromethylbenzonitrile
Structural formula
| Business number | 047W |
|---|---|
| Molecular formula | C8H5F3N2 |
| Molecular weight | 186.13 |
| label |
4-amino-3-trifluoromethylbenzonitrile, 2-amino-5-cyanotrifluoromethylbenzene, 2-Amino-5-cyanotrifluorotoluene, BUTTPARK 87\01-75, 2-AMINO-5-CYANOBENZOTRIFLUORIDE, 3-TRIFLUOROMETHYL-4-AMINOBENZONITRILE, 4-AMINO-3-TRIFLUOROMETHYLBENZONITRILE, 4-Cyano-2-(trifluoromethyl)aniline, 2-Amino-5-cyanobenzotrifluoride 99%, 2-Amino-5-cyanobenzotrifluoride99%, 3-TRILFUOROMETHYL-4-AMI |
Numbering system
CAS number:327-74-2
MDL number:MFCD00275473
EINECS number:000-000-0
RTECS number:None
BRN number:2970379
PubChem ID:None
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): Not available
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC):60-63
Boiling point (ºC, normal pressure): 100
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: Not available
Flash Point (ºC): 100
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: 39.92
2. Molar volume (m3/mol）：135.7
3. isotonic specific volume (90.2K):342.9
4. <SPAN style="FONT -SIZE: 9pt; FONT-FAMILSolubility: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: 39.92
2. Molar volume (m3/mol）：135.7
3. isotonic specific volume (90.2K):342.9
4. Surface Tension (dyne/cm):40.7
5. Polarizability（10-24cm3):15.82
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.8
2. Number of hydrogen bond donors: 1
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 49.8
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 227
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
Y: 宋体; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>Surface Tension ():40.7
5. Polarizability（10-24cm3):15.82
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.8
2. Number of hydrogen bond donors: 1
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 49.8
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 227
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
