40384

1,2,4,5-Tetrachloro-3-nitrobenzene

Standard for quantitative NMR, TraceCERT^®

• Linear Formula: HC₆Cl₄NO₂
• CAS Number: 117-18-0
• Molecular Weight: 260.89
• Beilstein: 1973805
• EC Number: 204-178-2
• MDL number: MFCD00007066
• PubChem Substance ID: 329755983
• NACRES: NA.24

Properties

• Quality Level: 300
• grade: Standard for quantitative NMR; certified reference material; TraceCERT^®
• description: qNMR Standard for organic solvents (7.8 - 8.4 ppm)
• product line: TraceCERT^®
• form: neat
• shelf life: limited shelf life, expiry date on the label
• application(s): HPLC: suitable; gas chromatography (GC): suitable; qNMR: suitable
• bp: 304 °C (lit.)
• mp: 98-101 °C (lit.)
• Featured Industry: Cleaning Products; Cosmetics; Environmental; Flavors and Fragrances; Food and Beverages; Personal Care
• format: neat
• SMILES string: [O-][N+](=O)c1c(Cl)c(Cl)cc(Cl)c1Cl
• InChI: 1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H
• InChI key: XQTLDIFVVHJORV-UHFFFAOYSA-N

Description

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.

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

1,2,4,5-Tetrachloro-3-nitrobenzene may be used as an internal standard in the following:

• Quantification of nicotine, glycerol, propylene glycol, and water in electronic cigarette fluids using a quantitative ¹H NMR analysis method.
• Quantification of free fatty acids in pharmaceutical lipids by ¹H NMR method.

Other Notes

Chemcial Shift: 7.8 - 8.4 ppm (chemical shifts may slightly vary depending on the experimental conditions)
Suitable NMR solvents: CDCl₃, DMSO-d₆

Legal Information

TraceCERT is a registered trademark of Sigma-Aldrich Co. LLC

Safety Information

• Pictograms: GHS07,GHS09
• Signal Word: Warning
• Hazard Statements: H302 - H317 - H410
• Precautionary Statements: P261 - P264 - P273 - P280 - P301 + P312 - P302 + P352
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Skin Sens. 1
• Storage Class Code: 11 - Combustible Solids
• WGK Germany: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable