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Merck
CN

35828

2,4,5-Trichloroaniline

PESTANAL®, analytical standard

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About This Item

Linear Formula:
Cl3C6H2NH2
CAS Number:
636-30-6
Molecular Weight:
196.46
EC Number:
211-254-9
UNSPSC Code:
41116107
PubChem Substance ID:
329755223
Beilstein/REAXYS Number:
879091
MDL number:
MFCD00007662

Key Documents

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InChI key

GUMCAKKKNKYFEB-UHFFFAOYSA-N

InChI

1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2

SMILES string

Nc1cc(Cl)c(Cl)cc1Cl

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

270 °C (lit.)

mp

93-95 °C (lit.)

application(s)

agriculture
environmental

format

neat

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General description

2,4,5-Trichloroaniline is a substituted aniline with a strong activating –NH2 substituent and three weakly deactivating Cl. It is used as an intermediate for dyestuffs, pigments, pesticides, and other organic chemicals.

Application

The 2,4,5-trichloroaniline may find the following uses:

  • Experimental and theoretical study on the molecular structure and vibrational spectra of 2,4,5-trichloroaniline using Fourier transform infrared spectroscopy (FT-IR) and Fourier transform-Raman spectroscopy
  • Simultaneous reversed-phase high-performance liquid chromatographic separation of mono-, di-and trichloroanilines through an optimized gradient elution experimental design
  • Exploring aroyl/heteroaroyl iminothiazolines featuring 2,4,5-trichlorophenyl moiety as a new class of potent, selective, and in- vitro efficacious glucosidase inhibitors
  • Antimicrobial studies of some novel propenones bearing aryl furan moiety
  • Calorimetric and spectroscopic studies of complex formation of 2,4,5-Trichloroaniline with proton acceptors in carbon tetrachloride

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - STOT RE 2 Oral

target_organs

Liver

Storage Class

6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCC3632

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Madiha Kazmi et al.
Bioorganic chemistry, 74, 134-144 (2017-08-07)
A series of iminothiazolines (4a-j) featuring 2,4,5-trichlorophenyl moiety and aroyl/heteroaroyl substituents has been prepared from readily accessible thioureas. In-vitro screening against glucosidase enzymes showed highly specific inhibition of α-glucosidase with a marked dependence of the potency upon the nature of
M C Gennaro et al.
Journal of chromatography. A, 945(1-2), 287-292 (2002-02-28)
A new RP-HPLC method for the simultaneous determination of the 13 mono-, di- and trichloroanilines has been developed. In order to obtain the analyte resolution within an acceptable analysis time, a gradient elution program has been optimised through the use
M Govindarajan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 97, 231-245 (2012-07-07)
In this work, the experimental and theoretical study on the molecular structure and vibrational spectra of 2,4,5-trichloroaniline (C(6)H(4)NCl(3), abbreviated as 2,4,5-TClA) were studied. The FT-IR and FT-Raman spectra were recorded. The molecular geometry and vibrational frequencies in the ground state

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