3,5-dinitrobenzamide 3,5-dinitrobenzamide

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:121-81-3

mdl number:mfcd00007985

einecs number:204-499-8

rtecs number:cv4752300

brn number:7096825

pubchem number:24893576

physical property data

1. melting point (℃):183℃

2. solubility:slightly soluble in cold water, slightly more soluble in hot water.

toxicological data

1, acute toxicity: rat oral ld50: 1250 mg/kg

rat transperitoneal cavity ld50: 320mg/kg

chicken orally ld50: 900mg/kg

chicken transperitoneal cavity ld50: 280mg/kg

turkey oral ld50: 1150mg/kg

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index:48.27

2. molar volume（m³/mol)：131.8

3. isotonic specific volume（90.2k）：392.6

4. surface tension（dyne/cm）：78.7

5. dielectric constant:

6. dipole moment（10（m³/mol）：131.8

3. isotonic specific volume（90.2k）：392.6

4. surface tension（dyne/cm）：78.7

5. dielectric constant:

6. dipole moment（10^-24cm³） ：

7. polarizability:19.13

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: 5

4. number of rotatable chemical bonds: 1

5. number of tautomers: 2

6. topological molecule polar surface area 135

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 272

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

storage method

none

synthesis method

1. introduction to production methods

use3,5-prepared from the reaction of dinitrobenzoyl chloride and ammonium acetate.

purpose

2. purpose

used as anticoccidial drug. the advantage is that resistance develops slowly

= st1 />^{– 24}cm³)：

7. polarizability:19.13

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: 5

4. number of rotatable chemical bonds: 1

5. number of tautomers: 2

6. topological molecule polar surface area 135

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 272

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

storage method

none

synthesis method

1. introduction to production methods

use3,5-prepared from the reaction of dinitrobenzoyl chloride and ammonium acetate.

purpose

2. purpose

used as anticoccidial drug. the advantage is that resistance develops slowly