36513
2,4,5-Trichlorophenol
PESTANAL®, analytical standard
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About This Item
Linear Formula:
Cl3C6H2OH
CAS Number:
Molecular Weight:
197.45
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
202-467-8
Beilstein/REAXYS Number:
607569
MDL number:
grade
analytical standard
product line
PESTANAL®
shelf life
limited shelf life, expiry date on the label
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
bp
248 °C/740 mmHg (lit.)
mp
67-69 °C (lit.)
application(s)
agriculture
environmental
format
neat
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
General description
2,4,5-Trichlorophenol is a phenolic organochloride, which is persistent as an environmental contaminant.
Application
2,4,5-Trichlorophenol may be used as an analytical reference standard for the quantification of the analyte in biological fluids using various chromatographic techniques.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Other Notes
Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.
Legal Information
PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany
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.
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signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Irrit. 2 - Skin Irrit. 2
Storage Class
11 - Combustible Solids
wgk
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
Regulatory Information
危险化学品
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Automated on-line column-switching HPLC--MS/MS method for measuring environmental phenols and parabens in serum.
Ye X, et al.
Talanta, 76(4), 865-871 (2008)
Xiaohui Xu et al.
Occupational and environmental medicine, 68(8), 557-561 (2011-05-05)
Trichlorophenols (TCPs) are organochlorine compounds which are ubiquitous in the environment and well known for their carcinogenic effects. However, little is known about their neurotoxicity in humans. Our goal was to examine the association between body burden of TCPs (ie
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