3,4,4′-trichlorodiphenylurea 3,4,4′-trichlorocarbanilide

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:101-20-2

mdl number:mfcd00013254

einecs number:202-924-1

rtecs number:fe1250000

brn number:none

pubchem number:24846715

physical property data

1. properties: white powder.

2. density (g/ml, 25℃): undetermined

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

4. melting point (ºc): 250-260

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

6. boiling point (ºc, 2mmhg): undetermined

7. refractive index: undetermined

8. flash point (ºc): 150

9. specific rotation (º): undetermined

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

11. vapor pressure (mmhg, 25ºc): <0.1

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

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

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) distribution coefficient: undetermined

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

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

19. solubility: undetermined

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 79.75

2. molar volume (cm³/mol): 205.7

3. isotonic specific volume (90.2k ): 573.0

4. surface tension (dyne/cm): 60.2

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 31.61

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: 1

4. yes��number of chemical bonds converted: 2

5. number of tautomers: 3

6. topological molecule polar surface area 41.1

7. heavy atoms number: 19

8. surface charge: 0

9. complexity: 308

10. number of isotope atoms: 0

11. determine the number of stereocenters of atoms: 0

12. determine the number of stereocenters of atoms: 0

13. determine the number of stereocenters of chemical bonds: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

used as a daily chemical bacteriostatic agent.