sulfamethadiazole

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:144-82-1

mdl number:mfcd00053363

einecs number:205-641-1

rtecs number:wp0875000

brn number:none

pubchem number:24899662

physical property data

1. physical property data:

1. melting point (ºc): 210ºc

toxicological data

2. toxicological data:

1, acute toxicity: rat oral ld50: 3500 mg/kg;

rat subcutaneous ld50: >6560 mg/kg;

rat intravenous ld50: 2710 mg/kg;

mouse oral ld50: >10 gm/kg;

mouse subcutaneous ld50: 1210 mg/kg;

mouse intravenous ld50: 1820 mg/kg.

ecological data

3. ecological data:

other harmful effect: this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

5. molecular property data:

1. molar refractive index:65.91

2. molar volume (m³/mol):173.0

3. isotonic specific volume (90.2k):527.5

4. surface tension (dyne/cm):86.4

5. polarizability(10^-24cm³）：26.12

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: 7

4. number of rotatable chemical bonds: 3

5. number of tautomers: 2

6. topological molecule polar surface area 135

7. number of heavy atoms: 17

8. surface charge: 0

9. complexity: 349

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

none

purpose

none

��90.2k): 527.5

4. surface tension (dyne/cm):86.4

5. polarizability(10^-24cm³）：26.12

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: 7

4. number of rotatable chemical bonds: 3

5. number of tautomers: 2

6. topological molecule polar surface area 135

7. number of heavy atoms: 17

8. surface charge: 0

9. complexity: 349

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

none

purpose

none