Benzene-D₆

ALDRICH/175978 - 99 atom % D

Synonym: Hexadeuterobenzene

CAS Number: 1076-43-3
Empirical Formula (Hill Notation): C₆D₆
Molecular Weight: 84.15
EC Number: 214-061-8
MDL Number: MFCD00003010
Linear Formula: C₆D₆
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-175978-10G	10 g	$76.40 1/EA		Add To Favorites
45-175978-50G	50 g	$271.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	≥99.00%
bp	79.1 °C/760 mmHg (lit.)
density	0.950 g/mL at 25 °C (lit.)
expl. lim.	0.34-6.3 % (lit.)
form	liquid
impurities	≤0.0100% water water
InChI	1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
InChI key	UHOVQNZJYSORNB-MZWXYZOWSA-N
isotopic purity	99 atom % D
mass shift	M+6
mp	6.8 °C (lit.)
Quality Level	100
refractive index	n20/D 1.497 (lit.)
SMILES string	[2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]
technique(s)	NMR: suitable

Application:	2H NMR study of dynamics of benzene-d6 interacting with humic and fulvic acids.: This study examines the interactions of benzene-d6 with humic and fulvic acids using deuterium NMR, highlighting the compound′s utility in probing the structure and dynamics of natural organic matter in environmental contexts (Nanny et al., 2011 ). Separation of benzene and deuterated benzenes by reversed-phase and recycle liquid chromatography using monolithic capillary columns.: This research demonstrates the effective separation of benzene-d6 from its isotopologues using advanced chromatographic techniques, contributing to methodologies in analytical chemistry for precise isotopic analysis (Lim et al., 2004 ). Structure-function relationships in high-density docosylsilane bonded stationary phases by Raman spectroscopy and comparison to octadecylsilane bonded stationary phases: effects of aromatic compounds.: The interaction of benzene-d6 with various stationary phases is analyzed, providing insights into the molecular interactions that influence chromatographic separations (Liao & Pemberton, 2008 ). Reaction of molecular oxygen with a Pd(II)-hydride to produce a Pd(II)-hydroperoxide: experimental evidence for an HX-reductive-elimination pathway.: This study uses benzene-d6 in experimental setups to elucidate mechanisms of oxygen interaction with Pd(II)-hydride complexes, significant in catalytic oxidation processes (Konnick & Stahl, 2008 ). Quantitative analysis of benzene by selected ion monitoring/gas chromatography/mass spectrometry.: Benzene-d6 is used as an internal standard to develop a highly precise method for quantifying benzene, crucial for environmental monitoring and industrial hygiene (Gruenke et al., 1986 ).
General description:	Benzene-d₆ (C₆D₆) is a deuterated derivative of benzene. Its Soret coefficient S(T) has been measured by the transient holographic grating technique. Its first resonance Raman spectrum and infrared absorption intensities (in the range of 5000-450cm^-1) have been reported. It participates in the synthesis of isotopically labeled samples.
Packaging:	10 g in ampule
Packaging:	50 g in glass bottle
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Symbol	GHS02,GHS07,GHS08
Signal word	Danger
Hazard statements	H225 - H304 - H315 - H319 - H340 - H350 - H372 - H412
Precautionary statements	P210 - P273 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331
Hazard Codes	F,T
Risk Statements	45-46-11-36/38-48/23/24/25-65
Safety Statements	53-45
RIDADR	UN1114 - class 3 - PG 2 - Benzene, solution
WGK Germany	WGK 3
Flash Point(F)	12.2 °F - closed cup
Flash Point(C)	-11 °C - closed cup

Purity	≥99.00%
bp	79.1 °C/760 mmHg (lit.)
mp	6.8 °C (lit.)
Density	0.950 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.497 (lit.)
UNSPSC	12142201

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