4-Chlorophenylurea 4-Chlorophenylurea

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:140-38-5

MDL number:MFCD00014788

EINECS number:205-412-6

RTECS number:YS6127000

BRN number:908492

PubChem ID:None

Physical property data

1. Properties: Colorless crystals

2. Melting point (ºC, decomposition): 210

3. Boiling point (ºC, normal pressure): Undetermined

4. Vapor pressure (kPa, 25ºC): Undetermined

5. Explosion upper limit (%, V/V): Undetermined

6. Explosion lower limit (%, V/V): Undetermined

7. Solubility: Insoluble in water, soluble in ethanol.

Toxicological data

None yet

Ecological data

Generally not hazardous to water, do not discharge material into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 44.32

2. Molar volume (cm³/mol): 121.6

3. Isotonic specific volume (90.2K ): 336.1

4. Surface tension (dyne/cm): 58.3

5. Polarizability (10^-24cm³): 17.57

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. Number of rotatable chemical bonds: 1

5. Number of tautomers: 3

6. Topological molecule polar surface area 55.1

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 143

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

Keep away from oxidants and store in a cool and dry place

Synthesis method

The preparation method is to react p-chloroaniline hydrochloride and sodium cyanate to obtain p-chlorophenylurea.
Add a certain amount of p-chloroaniline, concentrated hydrochloric acid and water to the reaction kettle in order to dissolve them, and cool to room temperature. Dissolve solid sodium cyanate in water in another reaction kettle and filter to obtain a colorless solution. Gradually add this solution to the reaction kettle containing p-chloroaniline hydrochloride while stirring, and control the temperature of the addition so that it does not exceed 30°C. After the addition is completed, stir at 30°C for 2 hours, filter, wash the solid with water 2 to 3 times, and dry it to obtain the product p-chlorophenylurea.

Purpose

P-Chlorophenyl urea is an intermediate for the synthesis of chlorphenyl urea via the non-phosgene route (sodium cyanate method).