17901-93-8

Basic information

• Product Name: BENZALDEHYDE-2,3,4,5,6-D5
• Synonyms: BENZALDEHYDE (RING-D5);BENZALDEHYDE-D5;BENZALDEHYDE-2,3,4,5,6-D5;BENZALDEHYDE-D6, 98 ATOM % D;BENZALDEHYDE (D6, 98%) (+0.1% HYDROQUINONE);deuterio-(2,3,4,5,6-pentadeuteriophenyl)methanone
• CAS NO: 17901-93-8
• Molecular Formula: C₇H₆O
• Molecular Weight: 111.15
• Product Categories: Alphabetical Listings;B;Stable Isotopes
• Mol File: 17901-93-8.mol
• Article Data: 33

Chemical Properties

• Melting Point: −26 °C(lit.)
• Boiling Point: 178-179 °C(lit.)
• Flash Point: 145 °F
• Appearance: /
• Density: 1.094 g/mL at 25 °C
• Vapor Pressure: 0.974mmHg at 25°C
• Refractive Index: n20/D 1.545(lit.)
• CAS DataBase Reference: BENZALDEHYDE-2,3,4,5,6-D5(CAS DataBase Reference)
• NIST Chemistry Reference: BENZALDEHYDE-2,3,4,5,6-D5(17901-93-8)
• EPA Substance Registry System: BENZALDEHYDE-2,3,4,5,6-D5(17901-93-8)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36/37/38-40-42/43
• Safety Statements: 26-36-24
• RIDADR: UN 1990 9/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 17901-93-8(Hazardous Substances Data)

Usage

Description

BENZALDEHYDE-2,3,4,5,6-D5 is a deuterated compound derived from benzaldehyde, which is an organic compound with the formula C6H5CHO, consisting of a benzene ring with a formyl group attached. The deuterium (D) atoms in the compound make it a useful tool in various analytical and research applications. It is characterized by its distinct chemical properties and stable isotope labeling, which allows for accurate measurements and quantification in scientific studies.

Uses

Used in Analytical Chemistry:
BENZALDEHYDE-2,3,4,5,6-D5 is used as an internal standard for the quantification of Benzaldehyde by Gas Chromatography (GC) or Liquid Chromatography (LC) coupled with mass spectrometry. The application reason is that the deuterated compound serves as a stable reference point for accurate measurements and quantification of benzaldehyde in various samples, such as environmental, pharmaceutical, and industrial applications. This helps in determining the concentration of benzaldehyde in the sample and allows for better understanding of its presence and role in different contexts.

InChI:InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H/i1D,2D,3D,4D,5D,6D

Upstream product

• 17942-32-4 L-[2,3,4,2',3',4',5',6']-octadeuteriophenylalanine 
• 2037-26-5 ⁽²⁾H₈-toluene 
• 108-88-3 toluene 
• 108-24-7 acetic anhydride 
• 64-19-7 acetic acid 
• 637-69-4 4-Methoxystyrene 
• 71258-23-6 benzyl alcohol-d7 
• 758640-21-0 N-Benzylaniline 
• 98-95-3 nitrobenzene 
• 51608-60-7 phenyl N-tosyl imine 
• 1079-02-3 benzoic acid-2,3,4,5,6-d5 
• 1076-43-3 benzene-d6 
• 68-12-2 N,N-dimethyl-formamide 

Downstream Products

• 89252-48-2 Bis{D10}(benzoyl-η6-benzene)chromium 
• 89252-47-1 (η6-{D6}benzene)({D5}benzoyl-η6-{D5}benzene)chromium 
• 1173021-13-0 leucomalachite green-d₆ 
• 1643416-13-0 2-(phenyl-d₅)quinazolin-4(3H)-one 
• 1174218-97-3 C₉H₂⁽²⁾H₆O₂ 

Relevant articles and documents

Water oxidation intermediates applied to catalysis: Benzyl alcohol oxidation

Four distinct intermediates, RuIV=O2+, Ru IV(OH)3+, RuV=O3+, and Ru V(OO)3+, formed by oxidation of the catalyst [Ru(Mebimpy)(4,4′-((HO)2OPCH2)s

Nonheme Diiron Oxygenase Mimic That Generates a Diferric-Peroxo Intermediate Capable of Catalytic Olefin Epoxidation and Alkane Hydroxylation including Cyclohexane

Herein are described substrate oxidations with H2O2 catalyzed by [FeII(IndH)(CH3CN)3](ClO4)2 [IndH = 1,3-bis(2′-pyridylimino)isoindoline], involving a spectroscopically characterized (μ-oxo)(μ-1,2-peroxo)diiron(III) intermediate (2) that is capable of olefin epoxidation and alkane hydroxylation including cyclohexane. Species 2 also converts ketones to lactones with a decay rate dependent on [ketone], suggesting direct nucleophilic attack of the substrate carbonyl group by the peroxo species. In contrast, peroxo decay is unaffected by the addition of olefins or alkanes, but the label from H218O is incorporated into the the epoxide and alcohol products, implicating a high-valent iron-oxo oxidant that derives from O-O bond cleavage of the peroxo intermediate. These results demonstrate an ambiphilic diferric-peroxo intermediate that mimics the range of oxidative reactivities associated with O2-activating nonheme diiron enzymes.

Rh(III)-Catalyzed [4+2] Cyclization of 2-Aryl-1H-benzo[d]imidazoles with Maleimides via C-H Activation

A rhodium-catalyzed formal [4+2]-cyclization of 2-aryl-1H-benzo[d]imidazoles with maleimides through C?H bond activation process is described here. Such an approach enables selectively construct a series of functionalized cis-dihydro-benzimidazo[2,1-a]iso

Divergent Construction of Diverse Scaffolds through Catalyst-Controlled C?H Activation Cascades of Quinazolinones and Cyclopropenones

A transition-metal-catalyzed C?H activation cascade strategy to rapidly construct diverse quinazolinone derivatives in a one-pot manner is reported. The catalysts play an important role in the different transformations. Additionally, the procedure is scal