4-aminosalicylate sodium

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: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.