2,4,6-Trichlorophenol

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:88-06-2

MDL number:MFCD00002172

EINECS number:201-795-9

RTECS number:SN1575000

BRN number:776729

PubChem number:24862519

Physical property data

1. Properties: light yellow flaky crystals with an unpleasant odor.

2. Relative density: 1.675

3. Melting point (ºC): 64~66

4. Boiling point (ºC): 246

5. Solubility: soluble in water, easily soluble in organic solvents such as ethanol, acetone, ether and so on.

Toxicological data

Toxic if taken orally. Irritating to eyes and skin. There is the possibility of irreversible damage to the body.

Ecological data

It is extremely toxic to aquatic life and can cause adverse consequences to the water environment.

Molecular structure data

1. Molar refractive index: 42.81

2. Molar volume (cm³/mol): 123.7

3. Isotonic specific volume (90.2K ): 329.8

4. Surface tension (dyne/cm): 50.5

5. Polarizability (10^-24cm³): 16.97

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 3.7

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA): 20.2

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7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 108

10. Number of isotope atoms : 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond configuration Number of centers: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Easily soluble in organic solvents, slightly soluble in water. Solubility (g/100g): acetone 525, benzene 113, carbon tetrachloride 37, diacetone alcohol 335, diethyl ether 354, methanol 525, denatured alcohol 30400, pine oil 163, dry cleaning solvent 16, toluene 100, turpentine 37, water Less than 0.1.

Storage method

This product should be kept sealed and dry. It is flammable in an open flame; it releases toxic chloride gas when heated. The warehouse should be ventilated and dried at low temperature; it should be stored and transported separately from food raw materials.

Synthesis method

First, put the phenol into the reactor and pass in chlorine gas 3 times. After the reaction, the crude product is treated with sodium sulfite and then distilled to obtain the finished product.

Purpose

Used as dye intermediates, bactericides, preservatives, and solvents for polyester fibers.

It is a synthetic killerBetween the pesticide prochloraz and the herbicide cumyl.