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Merck

156515

Sigma-Aldrich

2,4,5-Trichlorophenol

95%

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About This Item

Fórmula lineal:
Cl3C6H2OH
Número de CAS:
Peso molecular:
197.45
Beilstein/REAXYS Number:
607569
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

95%

bp

248 °C/740 mmHg (lit.)

mp

67-69 °C (lit.)

SMILES string

Oc1cc(Cl)c(Cl)cc1Cl

InChI

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

InChI key

LHJGJYXLEPZJPM-UHFFFAOYSA-N

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General description

2,4,5-Trichlorophenol (2,4,5-TCP) is employed as a raw material in the preparation of various biocides.

Application

2,4,5-trichlorophenol can be used as a starting material to synthesize:
  • Hexachlorophene, a fungicide, by the reaction with formaldehyde in the presence of concentrated H2SO4.
  • 2,4,5-trichlorophenoxyacetic acid (2,4,5-T), a herbicide.
  • N-Benzyl-2-(2,4,5-trichlorophenoxy)acetamide, which is used as an intermediate to prepare 4-benzyl-6,7-dichloro-2H-benzo[b][1,4]oxazin-3(4H)-one via Smiles rearrangement.

The product has been used to study its sorption onto montmorillonite based sorbents.

Disclaimer

“The product is not intended for use as a biocide under global biocide regulations, including but not limited to US EPA′s Federal Insecticide Fungicide and Rodenticide Act, European Biocidal Products Regulation, Canada’s Pest Management Regulatory Agency, Turkey’s Biocidal Products Regulation, Korea’s Consumer Chemical Products and Biocide Safety Management Act (K-BPR) and others."

Pictograms

Exclamation markEnvironment

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Irrit. 2 - Skin Irrit. 2

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

271.4 °F - closed cup

flash_point_c

133.0 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves


Certificados de análisis (COA)

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Los clientes también vieron

Organic Chemistry: With Biological Applications
Organic Chemistry (2011)
Photo-assisted degradation of 2, 4, 5-trichlorophenol by Electro-Fe (II)/Oxone{\textregistered} process using a sacrificial iron anode: Performance optimization and reaction mechanism
Wang YR and Chu Wei
Chemical Engineering Journal, 215, 643-650 (2013)
Microwave-assisted Synthesis of 2H-Benzo [b][1, 4] oxazin-3 (4H)-ones and 1H-Pyrido [2, 3-b][1, 4] oxazin-2 (3H)-ones via Smiles Rearrangement
Hua Zuo, et al.
Bulletin of the Korean Chemical Society,, 29(7), 1379-1385 (2008)
The Lethal Interaction and Formation of a Lipophilic Ternary Complex between 2, 4, 5-Trichlorophenol and the Cu (II)- Bis (1, 10-phenanthroline) Complex
Zhu Ben-Zhan
Chemical Research in Toxicology, 14(2), 222-227 (2001)
Qiao Sun et al.
Environmental science & technology, 41(16), 5708-5715 (2007-09-19)
Density functional theory (DFT) calculations have been carried out to explore the potential energy surface (PES) associated with the gas-phase reaction between 2,4,5-trichlorophenol and CuO. A gas-phase model was constructed to account, from a theoretical perspective, for the most important

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