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
• 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.