CRM69121

Diphenylamine

certified reference material, TraceCERT^®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

• Linear Formula: (C₆H₅)₂NH
• CAS Number: 122-39-4
• Molecular Weight: 169.22
• Beilstein/REAXYS Number: 508755
• MDL number: MFCD00003014
• UNSPSC Code: 41116107
• NACRES: NA.24

Properties

• grade: certified reference material; TraceCERT^®
• Quality Level: 300
• vapor density: 5.82 (vs air)
• vapor pressure: 1 mmHg ( 108 °C)
• product line: TraceCERT^®
• autoignition temp.: 1175 °F
• shelf life: limited shelf life, expiry date on the label
• manufacturer/tradename: Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
• bp: 302 °C (lit.)
• mp: 50-53 °C (lit.)
• format: neat
• SMILES string: N(c1ccccc1)c2ccccc2
• InChI: 1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
• InChI key: DMBHHRLKUKUOEG-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

Diphenylamine is a fat-soluble organic antioxidant, widely used to control post-harvest skin scalding in apples and pears by preventing the oxidation of α-farnesene.
According to the Commission Implementing Regulation (EU) No 578/2012 of 29th June 2012, diphenylamine is not approved for use in the European Union (EU) as an active substance in the plant protection products, following the Regulation (EC) No. 1107/2009. But a default maximum residue limit of 0.05 mg/kg is allowed for its presence in the products of plant and animal origin as per the EU Reg. 2018/1515.

Application

The certified reference material (CRM) is intended to be used as a calibrant for chromatography and other analytical techniques.
Diphenylamine CRM may also be used as given below:

• Development and validation of a gas chromatography-mass spectrometry (GC-MS) method for the simultaneous analysis of diphenylamine, tolylfluanid, propargite, and phosalone in human liver samples
• Determination of diphenylamine residues in fruit samples after applying a combination of supercritical fluid extraction (SFE) and supramolecular solvent-based microextraction (SSME) for the extraction, followed by a determination using high-performance liquid chromatography (HPLC) with ultraviolet (UV) detection
• Evaluate a newly designed molecularly imprinted polymer (MIP) based on β-cyclodextrin (β -CD) and graphene oxide (GO) for the determination of diphenylamine
• Analysis of diphenylamine in apple samples using an electrochemical sensor based on phosphomolybdic acid (PMo12) and graphene oxide (GO)
• Investigate the performance of an electrochemical sensor founded upon polymeric carbon-rich graphitic carbon nitride (C-gCN) to detect diphenylamine in apple juice samples
• Study the determination of diphenylamine in apple and pear samples using an electrochemical sensor based on Copper@nanoporous carbon (Cu@NPC) as the electrode material

Other Notes

Ion Mobility: ^TWCCS_N2 value of 135.5 Å2 [M+H]⁺

The collision cross section (CCS) measurement was provided by Waters Corporation, using the SYNAPT XS mass spectrometer.
For a description and overview of how ion mobility enables the measurement of the CCS of an ion visit ims.waters.com.
Further information on the SYNAPT XS mass spectrometer can be found on the IMS microsite and product webpage.

^TWCCS measurements are expected to be within 2% of this reference value.

P/N CRM69121 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.

Recommended products

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

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

Safety Information

• pictograms: GHS06,GHS08,GHS09
• signalword: Danger
• hcodes: H301 + H311 + H331,H373,H410
• pcodes: P273 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P311 - P314
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - STOT RE 2
• target_organs: Kidney,Liver,spleen
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3