p-Hydroxyphenylarsonic Acid p-Hydroxyphenylarsonic Acid
Structural formula
| Business number | 02DF |
|---|---|
| Molecular formula | C6H7AsO4 |
| Molecular weight | 218.04 |
| label |
p-arsenate phenol, 4-Hydroxyphenylarsonic acid, p-Oxyphenyl arsonic acid, Oxarsanilic acid, Hoc6h4aso(oh)2 |
Numbering system
CAS number:98-14-6
MDL number:None
EINECS number:202-641-3
RTECS number:CY5075000
BRN number:None
PubChem ID:None
Physical property data
1. Characteristics: White needle-shaped crystals.
2. Density (g/mL,25℃） : Undetermined
3. Relative vapor density (g/mL,Air=1): Undetermined
4. Melting point (ºC):170- 174
5. Boiling point (ºC,normal pressure): Undetermined
6. Boiling point (ºC, kPa): Not determined
7. Refractive index: Undetermined
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC):Undetermined
11. Vapor pressure (mmHg, 20ºC): Undetermined
12. Saturated vapor pressure (kPa, 33ºC): Not determined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
17. ���Explosion upper limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Easily soluble in water, ethanol or dilute mineral acid, slightly soluble in acetone, extremely insoluble in ether and ethyl acetate.
Toxicological data
Acute toxicity: Rat OralLDLo：450 mg/kg
Rat intravenous injectionLDLo：100 mg/kg;
Rat muscleLDLo：90 mg/kg;
Mice intravenously injected LD50: 56mg/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: 3
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 2
6. Topological molecule polar surface area 77.8
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 167
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
Arsinization of phenol and arsinic acid Produced by chemical reaction. Dissolve arsenic acid in water and heat the solution to 180℃, dehydrate and concentrate and then cool to 110℃. Add phenol, add phenol to >℃Stir the reaction 28h. Add water until the relative density of the solution is 1.85-1.90, cool to precipitate crystals, and filter to obtain crude product. The mother liquor is arsenic acid, which can be used after treatment. The crude product is recrystallized with water and decolorized with activated carbon to obtain p-hydroxyphenylarsonic acid. Another preparation method is to diazotize p-aminophenylarsonic acid and then hydrolyze it.
Purpose
P-hydroxyphenylarsinic acid is an anti- It is an intermediate of spirochetal disease drugs and disinfectants, and is also a reagent for detecting titanium and zirconium.
��None
Synthesis method
Arsinization of phenol and arsinic acid Produced by chemical reaction. Dissolve arsenic acid in water and heat the solution to 180℃, dehydrate and concentrate and then cool to 110℃. Add phenol, add phenol to >℃Stir the reaction 28h. Add water until the relative density of the solution is 1.85-1.90, cool to precipitate crystals, and filter to obtain crude product. The mother liquor is arsenic acid, which can be used after treatment. The crude product is recrystallized with water and decolorized with activated carbon to obtain p-hydroxyphenylarsonic acid. Another preparation method is to diazotize p-aminophenylarsonic acid and then hydrolyze it.
Purpose
P-hydroxyphenylarsinic acid is an anti- It is an intermediate of spirochetal disease drugs and disinfectants, and is also a reagent for detecting titanium and zirconium.