Sulfapyridine
Structural formula
| Business number | 03WN |
|---|---|
| Molecular formula | C11H11N3O2S |
| Molecular weight | 249.29 |
| label |
2-Sulfapyridine, 4-amino-N-(2-pyridyl)benzenesulfonamide, p-Amine-N-2-pyridine benzenesulfonamide, 4-Amino-N-(2-pyridinyl)benzene sulfonamide, 4-(2-Pyridinylsulfonyl)aniline |
Numbering system
CAS number:144-83-2
MDL number:MFCD00038036
EINECS number:205-642-7
RTECS number:DA9625000
BRN number:None
PubChem number:24899692
Physical property data
1. Physical property data:
1. Characteristics: yellow-brown to White powder
2. Melting point (ºC): 191-193ºC
3. Solubility:Slightly soluble in water.
Toxicological data
2. Toxicological data:
1, acute toxicity: rat oral LD50: 15800 mg/kg;
Rat intravenous LD50: 800 mg/kg;
Mouse oral LD50: 16600 mg/kg;
Mouse abdominal cavity LD50: 1150 mg/kg;
Rabbit oral LD50: 20 mg/kg.
2. Chronic toxicity/Carcinogenicity: Rat subcutaneous TDLo: 135 mg/kg/9W-I
Ecological data
3. Ecological data:
Usually for Water is not hazardous and materials should not be discharged into the surrounding environment without government permission.
Molecular structure data
5. Molecular property data: 1. Molar refractive index:65.34 2. Molar volume (m3/mol):174.0 3. Isotonic specific volume (90.2K):508.6 4. Surface tension (dyne/cm):73.0 5. Polarizability(10-24cm3）：5. Molecular property data: 1. Molar refractive index:65.34 2. Molar volume (m3/mol):174.0 3. Isotonic specific volume (90.2K):508.6 4. Surface tension (dyne/cm):73.0 5. Polarizability(10-24cm3）：25.90
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: 5
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 2
6. Topological molecule polar surface area 93.5
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 331
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
Stable under normal temperature and pressure.
Storage method
Save at 2-8ºC.
Synthesis method
2-Aminopyridine is obtained by condensation and hydrolysis.
Purpose
Pharmaceutical intermediates.
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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: 5
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 2
6. Topological molecule polar surface area 93.5
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 331
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
Stable under normal temperature and pressure.
Storage method
Save at 2-8ºC.
Synthesis method
2-Aminopyridine is obtained by condensation and hydrolysis.
Purpose
Pharmaceutical intermediates.