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467936

Sigma-Aldrich

3,4,5-Trichloropyridine

98%

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About This Item

Empirical Formula (Hill Notation):
C5H2Cl3N
CAS Number:
33216-52-3
Molecular Weight:
182.44
MDL number:
MFCD00051685
UNSPSC Code:
12352100
PubChem Substance ID:
24870447
NACRES:
NA.22

Quality Level

100

Assay

98%

mp

75-77 °C (dec.) (lit.)

functional group

chloro

SMILES string

Clc1cncc(Cl)c1Cl

InChI

1S/C5H2Cl3N/c6-3-1-9-2-4(7)5(3)8/h1-2H

InChI key

KKWRVUBDCJQHBZ-UHFFFAOYSA-N

General description

3,4,5-Trichloropyridine is a pyridine derivative. It undergoes oxidation with trifluoroacetic anhydride (TFAA) in the presence of hydrogen peroxide urea complex.

Application

3,4,5-Trichloropyridine may be employed as a secondary standard in quantitative NMR (qNMR) studies.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCK8896
MKCK0439
MKCC2050
MKBJ9679V
MKBH5696V

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A practical, efficient, and rapid method for the oxidation of electron deficient pyridines using trifluoroacetic anhydride and hydrogen peroxide-urea complex.
Caron S, et al.
Tetrahedron Letters, 41(14), 2299-2302 (2000)
Torgny Rundlöf et al.
Journal of pharmaceutical and biomedical analysis, 52(5), 645-651 (2010-03-09)
In quantitative NMR (qNMR) selection of an appropriate internal standard proves to be crucial. In this study, 25 candidate compounds considered to be potent internal standards were investigated with respect to the ability of providing unique signal chemical shifts, purity
Torgny Rundlöf et al.
Journal of pharmaceutical and biomedical analysis, 93, 111-117 (2013-11-12)
Standards are required in quantitative NMR (qNMR) to obtain accurate and precise results. In this study acetanilide was established and used as a primary standard. Six other chemicals were selected as secondary standards: 3,4,5-trichloropyridine, dimethylterephthalate, maleic acid, 3-sulfolene, 1,4-bis(trimethylsilyl)benzene, and
Shi Shen et al.
Journal of pharmaceutical and biomedical analysis, 114, 190-199 (2015-06-13)
This study investigated the accuracy of the quantitative NMR method for purity determination of ACE inhibitors reference standards and the discovery of two pairs of new diastereoisomers. Six types of ACE inhibitors, imidapril hydrochloride, benazepril hydrochloride, lisinopril, enalapril maleate, quinapril
Monika Johansson et al.
Journal of pharmaceutical and biomedical analysis, 100, 215-229 (2014-08-30)
An effective screening procedure to identify and quantify active pharmaceutical substances in suspected illegal medicinal products is described. The analytical platform, consisting of accurate mass determination with liquid chromatography time-of-flight mass spectrometry (LC-QTOF-MS) in combination with nuclear magnetic resonance (NMR)

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