2,3,6-trichlorophenol Property

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

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

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

2,3,6-trichlorophenol Chemical Properties,Usage,Production

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).