4-aminosalicylate sodium
structural formula
| business number | 03ny |
|---|---|
| molecular formula | c7h6nnao3 |
| molecular weight | 175.12 |
| label |
4-amino-2-hydroxybenzoic acid sodium salt, para-aminosalicylate sodium, sodium 4-amino-2-hydroxybenzoate, aromatic compounds |
numbering system
cas number:133-10-8
mdl number:mfcd00151044
einecs number:205-091-2
rtecs number:vo1700000
brn number:none
pubchem id:none
physical property data
1. appearance: white or off-white crystal or crystalline powder. odorless. it has a sweet and salty taste. the color gradually darkens when exposed to air.
2. density (g/ml,25/4℃): undetermined
3. relative vapor density (g /ml,air= 1): undetermined
4. melting point (ºc): undetermined
5. boiling point (ºc, often pressure): undetermined
6. boiling point (ºc,5.2kpa): undetermined
7. refractive index: undetermined
8. flash point (ºc) : undetermined
9. specific rotation (º ): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (kpa,25ºc): undetermined
12. saturated vapor pressure (kpa, 60ºc): undetermined
18. lower explosion limit (%,v/v): undetermined
19. solubility: 1gproduct dissolved in2mlin the water, very slightly soluble in acetone, almost insoluble in ether, chloroform and benzene. its1%aqueous solution phapproximately7.
toxicological data
acute toxicity data:
rat orally ld50 ：8mg/kg
rat abdominal cavityld50: 4950mg/kg
mice orally ld50 ：6900mg/kg
mouse abdominal cavityld50: 3850mg/kg
mouse subcutaneous ld50: 2800mg/kg
mouse veinld50:3380mg/kg
reproduction data:
big female rat subcutaneous tdlo for 6-14 days after pregnancy: 247mg/kg;
big female rabbit after pregnancy 7-14 orally administered tdlo: 40mg/kg
mutagenicity data:
bacteria–salmonella typhimurium: 1mg/plate
human lymphocytes ：600mg/l
rodent–rat ascites tumor: 6pph
ecological data
none yet
molecular structure data
none yet
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 1
5. number of tautomers: 12
6. topological molecule polar surface area 86.4
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 165
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: 2
properties and stability
none yet
storage method
stored in a sealed, cool, dry and protected from light.
synthesis method
none yet
purpose
for organic synthesis. pharmaceuticals.
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big female rabbit after pregnancy 7-14 orally administered tdlo: 40mg/kg
mutagenicity data:
bacteria–salmonella typhimurium: 1mg/plate
human lymphocytes ：600mg/l
rodent–rat ascites tumor: 6pph
ecological data
none yet
molecular structure data
none yet
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 1
5. number of tautomers: 12
6. topological molecule polar surface area 86.4
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 165
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: 2
properties and stability
none yet
storage method
stored in a sealed, cool, dry and protected from light.
synthesis method
none yet
purpose
for organic synthesis. pharmaceuticals.
