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2,3,6-trichlorophenol

CAS No.933-75-5
Chemical Name:2,3,6-trichlorophenol
CBNumber:CB3667512
Molecular Formula:C6H3Cl3O
Formula Weight:197.45
MOL File:933-75-5.mol

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)
EWG's Food Scores 1
FDA UNII AE2CMR564U
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

NFPA 704:

	2
2		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H302-H315-H319
Precautionary statements P264-P270-P280-P301+P312-P302+P352-P305+P351+P338

2,3,6-trichlorophenol Price More Price(3)

Brand: Sigma-Aldrich(India)
Product number: 36745
Product name : 2,3,6-Trichlorophenol
Purity: PESTANAL?, analytical standard
Packaging: 250MG
Price: ₹4860.43
Updated: 2022/06/14
Buy: Buy

Brand: TCI Chemicals (India)
Product number: T1114
Product name : 2,3,6-Trichlorophenol
Purity: min. 98.0 %
Packaging: 1G
Price: ₹6600
Updated: 2022/05/26
Buy: Buy

Brand: TCI Chemicals (India)
Product number: T1114
Product name : 2,3,6-Trichlorophenol
Purity: min. 98.0 %
Packaging: 10G
Price: ₹16500
Updated: 2022/05/26
Buy: Buy

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).