Dichlorophenol Dichlorophenol

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:97-23-4

MDL number:MFCD00002322

EINECS number:202-567-1

RTECS number:SM0175000

BRN number:1884514

PubChem number:24848095

Physical property data

1. Properties: Reddish brown to dark brown liquid

2. Melting point (ºC): 177~178

3. Solubility: Almost insoluble in water, soluble in organic solvents such as ethanol and toluene.

4. Relative density: 1.11~1.16

5. ph value: 13~14

Toxicological data

1. Skin/eye irritation: Standard Dresser test: rabbit skin contact, 500mg/24HREACTION SEVERITY, mild reaction; Standard Dresser test: rabbit eye contact, 50μg/24HREACTION SEVERITY, strong reaction;

2. Acute toxicity: Rat oral LD50: 1506mg/kg; Rat intravenous LD50: 17mg/kg; Mouse oral LC50: 1mg/kg; Dog oral LD50: 2mg/kg; Guinea pigs Oral LD50: 1250mg/kg;

3. Mutagenicity: Mutant microorganism test: bacteria – Salmonella typhimurium, 50μmol/plate; Mutant microorganism test: bacteria – Salmonella typhimurium, 150μg/plate

Ecological data

It is extremely harmful to water and toxic to fish. Do not let the product enter the water body.

Molecular structure data

1. Molar refractive index: 69.12

2. Molar volume (cm³/mol): 189.5

3. Isotonic specific volume (90.2K ): 520.0

4. Surface tension (dyne/cm): 56.6

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 27.40

Calculate chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 5

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 226

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

1. Avoid contact with strong oxidants.

2. White crystal or light gray powder, soluble in most solvents such as ethanol and ether and alkali, slightly soluble in benzene, and insoluble in water.

3. This product has low toxicity.

Storage method

1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together.

2. Equipped with corresponding varieties and quantities of fire-fighting equipment.

3. The storage area should be equipped with leakage emergency treatment equipment and suitable containment materials.

Synthesis method

1. Obtained from the reaction of p-chlorophenol and formaldehyde. The post-shrinking reaction is carried out in the solvent methanol (or ethanol), using sulfuric acid as the catalyst, and the reaction temperature is controlled below -5°C. Another process method is to use molecular sieves as catalysts. In this case, the condensation reaction of p-chlorophenol and formaldehyde is carried out at 110°C.

2. First, combine the solvent ethanol and Add a catalyst amount of concentrated sulfuric acid to the reaction kettle, then add 277kg of p-chlorophenol, cool to -10~0°C, start adding 30kg of formaldehyde dropwise, and react for 6 hours. After the reaction is completed, let it stand, filter and dry to obtain a solid product.

3.It is obtained by the condensation reaction of p-chlorophenol and formaldehyde. One method is to perform it in the solvent methanol (or ethanol) and use sulfuric acid as the catalyst. Molecular sieves can also be used as catalysts, and the reaction is carried out at a temperature of 110°C.

4.The condensation reaction of p-chlorophenol and formaldehyde is carried out in the solvent methanol (or ethanol) with sulfuric acid as the catalyst. The reaction temperature is controlled below -5°C; or molecular sieves are used as catalysts and the reaction can be carried out at a temperature of 110°C.

Purpose

1. Used as biocide in industrial processing. It has high activity against bacteria, fungi, algae and yeast. It is widely used in cooling circulating water treatment in chemical fertilizer, petrochemical, oil refining, metallurgy and other industries. When the dosage is 50~100g/m3, the 24h sterilization rate reaches more than 99%. It can also be used as an anti-fogging agent for strong materials, pulp and wood.

2.In oil field chemicals, it can be used as a bactericide in water-based oil well fracturing fluids. The dichlorophenol used in the circulating water system is an aqueous solution in the form of a single sodium salt. Since it is a reddish-brown liquid, putting it into the circulating water will affect the color of the water. Dichlorophenol has good biocidal and inhibitory effects on heterotrophic bacteria, iron bacteria, sulfate-reducing bacteria and other fungi and algae. It is an efficient and broad-spectrum biocide. The applicable range of pH is wider, and the treatment effect is better under alkaline conditions. Spraying wooden cooling towers with commercial dichlorophenol solution can reduce the amount of biocides used in circulating water and prevent fungi from corroding the wood. Chlorophenols should not be used together with cationic agents (such as quaternary ammonium salts, etc.), but their combined use with certain anionic surfactants can significantly reduce its dosage and Improve killing effect.

3.Dichlorophenol is effective against heterophilic bacteria, iron bacteria, sulfate-reducing bacteria and algae. It is a highly efficient and broad-spectrum fungicide with good bactericidal and inhibitory effects. It has a wide pH range and has better treatment effects in alkaline conditions. Spraying wooden cooling towers with dichlorophenol solution can reduce the amount of fungicides in circulating water and prevent fungi from corroding the wood. Chlorophenols should not be used together with cationic agents (such as quaternary ammonium salts, etc.), but their combined use with certain anionic surfactants can significantly reduce its dosage and Improve sterilization effect. Dichlorophenol used in circulating water systems is an aqueous solution in the form of a monosodium salt. Since it is a reddish-brown liquid, putting it into circulating water will affect the color of the water. The general mass concentration used is 100 mg/L, and the sterilization rate reaches more than 99%.

4.Preservative and antifungal agent for natural adhesives and synthetic rubber latex. It can be used as a fungicide in agriculture, medicine, and soap products.