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2,4-Dichlorobenzotrifluoride

TraceCERT®, certified reference material, 19F-qNMR Standard, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

Synonym(s):

2,4-Dichloro-α,α,α-trifluorotoluene

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About This Item

Linear Formula:
Cl2C6H3CF3
CAS Number:
Molecular Weight:
215.00
EC Number:
MDL number:
UNSPSC Code:
41116107

grade

certified reference material
TraceCERT®

Quality Level

100
300

shelf life

limited shelf life, expiry date on the label

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

technique(s)

qNMR: suitable

refractive index

n20/D 1.481 (lit.)

bp

117-118 °C (lit.)

density

1.484 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
pharmaceutical

format

neat

storage temp.

2-8°C

SMILES string

FC(F)(F)c1ccc(Cl)cc1Cl

InChI

1S/C7H3Cl2F3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H

InChI key

KALSHRGEFLVFHE-UHFFFAOYSA-N

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General description

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com




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Application


  • Environmental remediation and analysis: The study conducted by Chen et al. (2017) investigates the degradation of 3,4-dichlorobenzotrifluoride using zirconia-coated magnetite magnetic nanoparticles in a Fenton-like process, suggesting its relevance in environmental remediation technologies for halogenated aromatic compounds (Chen et al., 2017).

  • Groundwater contamination monitoring: Research by Lava et al. (2013) focuses on the analytical determination of benzotrifluoride derivatives, including 2,4-dichlorobenzotrifluoride, in groundwater. This study underlines the compound′s significance as an analytical standard in monitoring environmental contamination and assessing the impact of industrial pollutants (Lava et al., 2013).

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Legal Information

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

Pictograms

Corrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

Aquatic Chronic 4 - Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible, corrosive hazardous materials

WGK

WGK 2

Flash Point(F)

161.6 °F - closed cup

Flash Point(C)

72 °C - closed cup


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Articles

In certain cases, 1H qNMR reaches its limits, especially regarding the certification of complex and larger molecules. However, new fields of application often also bring along the presence of heteroatoms, namely 31P and 19F. We therefore introduced 3 CRMs for 19F qNMR with traceability to the SI.

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