3-Amino-4-chlorobenzotrifluoride 3-Amino-4-chlorobenzotrifluoride
Structural formula
| Business number | 03DP |
|---|---|
| Molecular formula | C7H5ClF3N |
| Molecular weight | 195 |
| label |
None yet |
Numbering system
CAS number:121-50-6
MDL number:MFCD00007673
EINECS number:204-475-7
RTECS number:XU5775000
BRN number:879910
PubChem number:24846070
Physical property data
1. Character:Colorless transparent liquid
2. Relative density:1.428
3. Refractive index: 1.498-1.5
4. Melting point (℃):75
5. Boiling point (ºC,9 mmHg):82~83
6. Water-soluble ( g/L,60 ºC):11
Toxicological data
1, acute toxicity: mice through peritoneal cavity LD50: 100mg/kg
Ecological data
None
Molecular structure data
5. Molecular property data: 1. Molar refractive index: 40.36 2. Molar volume（m3/ mol）：137.1 3. isotonic ratio（90.2K）：326.1 4. Surface Tension（dyne/cm）：31.9 5. Dielectric constant: 6. Molar refractive index:40.36 2. Molar volume（m3/ mol）：137.1 3. isotonic ratio（90.2K）：326.1 4. Surface Tension（dyne/cm）：31.9 5. Dielectric constant: 6. Dipole moment（10 -24cm3)： 7. Polarizability: 16.00
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: 12
8. Surface charge: 0
9. Complexity: 159
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
1. Basic properties
This product is a colorless and transparent liquid, which is irritating.
Storage method
None
Synthesis method
None
Purpose
None
FAMILY: 宋体; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>Dipole moment（10-24 cm3）：
7. Polarizability: 16.00
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: 12
8. Surface charge: 0
9. Complexity: 159
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
1. Basic properties
This product is a colorless and transparent liquid, which is irritating.
Storage method
None
Synthesis method
None
Purpose
None