3,5-Dinitrobenzamide 3,5-Dinitrobenzamide

Structural formula

Business number	03E3
Molecular formula	C7H5N3O5
Molecular weight	211.15
label	dinitrobenamide, nitromete, 3,5-Dinitrobenzamide, nitramine, Nitromid, Nitromide, 3,5-dinitro-benzamid, Benzamide, 3,5-dinitro-, component of Tristat, component of Unistat, component of Unistat-3, Tristat, Fragrance

• 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