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
