Chlorobenzene-d₅

ALDRICH/176605 - 99 atom % D

Synonym: Pentadeuterochlorobenzene

CAS Number: 3114-55-4
Empirical Formula (Hill Notation): C₆D₅Cl
Molecular Weight: 117.59
EC Number: 221-482-0
MDL Number: MFCD00000531
Linear Formula: C₆D₅Cl
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-176605-500MG	500 mg	$88.90 1/EA		Add To Favorites
45-176605-1G	1 g	$145.00 1/EA		Add To Favorites
45-176605-5G	5 g	$251.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	99% (CP)
bp	130-130.5 °C (lit.)
density	1.157 g/mL at 25 °C (lit.)
form	liquid
InChI	1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D
InChI key	MVPPADPHJFYWMZ-RALIUCGRSA-N
isotopic purity	99 atom % D
mass shift	M+5
Quality Level	200
refractive index	n20/D 1.522 (lit.)
SMILES string	[2H]c1c([2H])c([2H])c(Cl)c([2H])c1[2H]
technique(s)	GC/MS: suitable
	NMR: suitable

Application:	May be used as an analytical standard
General description:	Chlorobenzene-d₅is a deuterated derivative of chlorobenzene having an isotopic purity of 99atom%D. ¹HNMR (Proton Nuclear Magnetic Resonance) and ²HNMR (Deuterium NMR) spectra of chlorobenzene-d₅ were studied in liquid crystal solvents to evaluate the quadrupolar coupling constants (DQCC) and the asymmetry parameters (η) for the deuterons. Values reported were as: DQCC^ortho = 180(2)kHz, η^ortho = 0.06(1), DQCC^meta = 174(2)kHz, η^meta = 0.09(3), DQCC^para= 182(4)kHz, η^Para = 0.06(4)].
General description:	Chlorobenzene-d₅ may be used as an internal standard for the high molecular weight and low volatility compounds in thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) analysis.
Other Notes:	Check out ChemisTwin® , our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial .
Packaging:	1, 5 g in ampule
Packaging:	5×5 g in glass bottle

Symbol	GHS02,GHS07,GHS09
Signal word	Warning
Hazard statements	H226 - H315 - H332 - H411
Precautionary statements	P210 - P233 - P240 - P273 - P303 + P361 + P353 - P304 + P340 + P312
Hazard Codes	Xn,N
Risk Statements	10-20-51/53
Safety Statements	24/25-61
RIDADR	UN1134 - class 3 - PG 3 - Chlorobenzene
WGK Germany	WGK 3
Flash Point(F)	75.2 °F - closed cup
Flash Point(C)	24.0 °C - closed cup

Purity	99% (CP)
bp	130-130.5 °C (lit.)
Density	1.157 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.522 (lit.)
UNSPSC	12142201

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