3,5,4′-Tribromosalicylic acid aniline

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:87-10-5

MDL number:None

EINECS number:201-723-6

RTECS number:VN8925000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: Colorless to light brown needle-like crystals

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 227-228

5. Boiling point (ºC, normal pressure): Undetermined

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6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

7. p>

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa , 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient : Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Easily soluble in dimethylformamide, soluble in hot acetone, slightly soluble in ethanol, not soluble in water.

Toxicological data

1. Acute toxicity

Rat caliber LD50: 410mg/kg;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 85.78

2. Molar volume (cm³/mol): 215.2

3. Isotonic specific volume (90.2K): 613.3

4. Surface tension (dyne/cm): 65.8

5. Polarizability (10^-24cm³): 34.00

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 5

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 7

6. Topological molecular polar surface area (TPSA): 49.3

7. Number of heavy atoms: 19

8. Surface electricityCharge: 0

9. Complexity: 321

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13. The number of determined chemical bond stereocenters: 0

14. The number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. It is effective not only against Gram-positive bacteria, but also against Gram-negative bacteria and some molds. It has low toxicity, little skin irritation, no photosensitivity, and is relatively stable to heat.

Storage method

This product should be kept sealed, dry and protected from light.

Synthesis method

1. There are two industrial synthesis process routes, one is obtained by bromination of salicylanilide as raw material, and the other isProduced by the reaction of 3,5-bromosalicylic acid and p-bromoaniline.

Purpose

1. Used to make disinfectant soap (neutral soap contains 0.3~0.5% of this product), which can be used to prevent and treat skin diseases and medical disinfection and washing liquid. It can also be used as a preservative in cosmetics.