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.