Structural formula
| Business number | 02C6 |
|---|---|
| Molecular formula | C8H10AsNO5 |
| Molecular weight | 275.09 |
| label |
acetapine, 3-acetamido-4-hydroxyphenylarsonic acid, acetylsamine, Acetaminophen Hydroxybenzoic Acid, Acetamide arsine, N-Acetyl-4-hydroxy-m-arsanilic acid, [3-(Acetylamino)-4-hydroxyphenyl)]arsonic acid, Acetphenarsine |
Numbering system
CAS number:97-44-9
MDL number:MFCD00019936
EINECS number:202-582-3
RTECS number:CF8400000
BRN number:None
PubChem number:24890414
Physical property data
1. Properties: White prismatic crystals, odorless.
2. Density (g/mL, 20℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 240-250℃ (decomposition)
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, KPa) : Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20.2ºC): Not determined
12. Saturated vapor pressure (kPa, ºC): 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. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Slightly soluble in cold water and ethanol and dilute acids, soluble in boiling water, caustic alkali solutions or carbonic acid alkali solutions.
Toxicological data
Rat oral LD50 is 4mg/kg
Ecological data
None
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 4
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 10
6. Topological molecule polar surface area 107
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 289
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain.Number of ��stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
1. Highly toxic.
Storage method
Stored sealed and protected from light.
Synthesis method
Originated from acetylation of 1.3-amino-4-hydroxyphenylarsonic acid. Add 3-amino-4-hydroxyphenylarsonic acid to 5% sodium hydroxide solution and stir until completely dissolved. Adjust pH to 8, heat to 30-35°C, add acetic anhydride under vigorous stirring to precipitate, continue stirring for 1 hour, add hydrochloric acid at 55-60°C to precipitate crystals, filter, and wash with water to obtain crude acetylsamine. Refining: Dissolve the crude product in 5% sodium hydroxide solution, add activated carbon, stir, filter, and slowly add 10% sulfuric acid to the filtrate to make the Congo red test paper turn blue and precipitate crystals. Filter and wash to obtain refined acetylsamine.
Purpose
1. Medicine. Disinfectant, has the effect of killing trichomoniasis, and is used to treat vaginal trichomoniasis. It is often made into Diweijing tablets, each tablet contains 0.25g of acetylsamine and 0.30g of boric acid.
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