2,3,6-trichlorophenol Chemical Properties

Melting point:

53-55 °C(lit.)

Boiling point:

88 °C (0.4 mmHg)

Density 

1.5 g/cm3

refractive index 

1.5300 (estimate)

Flash point:

78 °C

storage temp. 

Sealed in dry,Room Temperature

solubility 

methanol: 0.1 g/mL, clear

pka

6.06±0.15(Predicted)

color 

Colorless needles from pet ether

Water Solubility 

591mg/L(25 ºC)

BRN 

1867596

Stability:

Stability Combustible. Incompatible with strong oxidizing agents, acid anhydrides, acid chlorides. May be hygroscopic.

InChI

InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H

InChIKey

XGCHAIDDPMFRLJ-UHFFFAOYSA-N

SMILES

C1(O)=C(Cl)C=CC(Cl)=C1Cl

CAS DataBase Reference

933-75-5(CAS DataBase Reference)

EPA Substance Registry System

2,3,6-Trichlorophenol (933-75-5)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22-36/38

Safety Statements 

26-28

RIDADR 

UN 2020 6.1/PG 3

WGK Germany 

3

RTECS 

SN1300000

HazardClass 

6.1(b)

PackingGroup 

III

HS Code 

2908190090

Hazardous Substances Data

933-75-5(Hazardous Substances Data)

Toxicity

mmo-sat 10 mg/plate TECSDY 14,143,87

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS

2,3,6-trichlorophenol Usage And Synthesis

Chemical Properties

off-white, light tan to purple crystals

General Description

Colorless needles or purple crystalline solid. Taste threshold concentration: 0.0005 mg/L. Odor threshold concentration (detection): 0.3 mg.

Air & Water Reactions

May be hygroscopic. Insoluble in water.

Reactivity Profile

2,3,6-TRICHLOROPHENOL is incompatible with acid chlorides, acid anhydrides and oxidizing agents. .

Fire Hazard

2,3,6-TRICHLOROPHENOL is combustible.

Safety Profile

Poison by intraperitoneal route.Mutation data reported. When heated to decomposition itemits toxic fumes of Clí.

Degradation

LAC-4 (a laccase purified from Ganoderma lucidum) had a strong ability for 2,6- dichlorophenol (2,6-DCP) and 2,3,6-trichlorophenol (2,3,6-TCP) degradation. LAC-4 also had a good degradation effect on the chlorophenol mixture (2,6-DCP + 2,3,6-TCP). The results of the kinetics of the degradation of chlorophenols by LAC-4 suggested that the affinity of LAC-4 for 2,6-DCP was higher than that of 2,3,6-TCP. The catalytic efficiency and the catalytic rate of LAC-4 on 2,6-DCP were also significantly higher than 2,3,6-TCP. During the degradation of 2,6-DCP and 2,3,6-TCP, LAC-4 had a strong tolerance for high concentrations of different metal salts (such as MnSO4, ZnSO4, Na2SO4, MgSO4, CuSO4, K2SO4 ) and organic solvents (such as ethylene glycol and glycerol). The free radicals formed by LAC-4 oxidation of 2,6-DCP and 2,3,6-TCP produced dimers through polymerization. LAC-4 catalyzed the polymerization of 2,6-DCP and 2,3,6-TCP, forming dimer products. LAC-4 catalyzed 2,3,6-TCP into two main products: 2,3,6-trichloro-4-(2,3,6- trichlorophenoxy) phenol and 2,2',3,3',5,5' -hexachloro-[1,1' -biphenyl]-4,4' -diol[1].

References

[1] Wei Deng, Yang Yang, Wei Zhao. “Degradation and Detoxification of Chlorophenols with Different Structure by LAC-4 Laccase Purified from White-Rot Fungus Ganoderma lucidum.” International Journal of Environmental Research and Public Health (2022).

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