3-amino-4-chlorobenzotrifluoride 3-amino-4-chlorobenzotrifluoride

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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