2,6-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:87-65-0

MDL number:MFCD00002176

EINECS number:201-761-3

RTECS number:SK8750000

BRN number:1447806

PubChem number:24862119

Physical property data

1. Properties: Colorless needle-like crystals, toxic and corrosive

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 68℃

5. Boiling point (ºC, normal pressure): 220° C

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined Determined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor Pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

p>

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil-water (octanol/water) partition coefficient Logarithmic value of p>

19. Solubility: easily soluble in ethanol and ether, soluble in benzene and petroleum ether

Toxicological data

1. Acute toxicity

Rat abdominal LD50: 390mg/kg;

Mouse caliber: 2120 mg/kg;

2. Neurotoxicity

Rabbit skin test: 2 mg/24HREACTION; Rabbit eye test: 250ug/24HREACTION

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 37.92

2. Molar volume (cm³/mol): 111.7

3. Isotonic specific volume (90.2K): 294.0

4. Surface tension (dyne/cm): 47.8

5. Polarizability (10^-24cm³): 15.03

Compute chemical data

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

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 molecule polar surface area 20.2

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 87.1

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 establishment.Number of ��centers: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

Composed of 4- ethyl hydroxybenzoate (ethyl paraben) Obtained by oxidation, alkaline hydrolysis, acidification and decarboxylation.

Purpose

Mainly used for pesticides and medicine,medicine “An important raw material of diclofenac“.