thioacetanilide

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:637-53-6

mdl number:mfcd00004942

einecs number:211-288-4

rtecs number:ae7350000

brn number:none

pubchem number:24849759

physical property data

1. characteristics: yellow crystalline powder.

2. density (g/ml,25/4℃): undetermined

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc): 76-79

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc): undetermined

12. saturated vapor pressure (kpa, 60ºc ): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/log value of partition coefficient (water): undetermined

17 . explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility: not determined .

toxicological data

1, acute toxicity: rat (oral) ld50: 2,635mg/kg
mice (orally) ld50: 2,625mg/kg;
mouse (peritoneal) ld50: 300mg/kg;
guinea pig (oral) ld50: 1,775 mg/kg;

since the ld50 of table salt is 3,000 mg/kg, bpa has the same degree of acute toxicity as table salt.

ecological data

do not discharge material into drains.

molecular structure data

1. molar refractive index: 47.78

2. molar volume (m³/mol）：130.3

3. isotonic specific volume (90.2k):352.4

4. surface tension (dyne/cm):53.4

5. polarizability（10^-24cm³):18.94

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 1

5. number of tautomers: 3

6. topological molecule polar surface area 44.1

7.��number of atoms: 10

8. surface charge: 0

9. complexity: 116

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

keep away from oxides.

storage method

stored in seal the container and place in a cool, dry place. store away from oxidizing agents.

synthesis method

none yet

purpose

none yet

resource:allhdi.com