Deuterated benzene

Deuterated benzene (C6D6) is an isotopologue of benzene (C6H6) in which the hydrogen atom ("H") is replaced with deuterium (heavy hydrogen) isotope ("D"). Deuterated benzene is a common solvent used in NMR spectroscopy.[1]

Deuterated benzene
Kekulé, skeletal formula of deuterated benzene
Spacefill model of deuterated benzene
Identifiers
3D model (JSmol)
1905426
ChemSpider
ECHA InfoCard 100.012.784
EC Number
  • 214-061-8
UN number 1114
Properties
C62H6
Molar mass 84.1488 g mol−1
Density 0.950 g cm−3
Melting point 7 °C; 44 °F; 280 K
Boiling point 79 °C; 174 °F; 352 K
Thermochemistry
152.46 J K−1 mol−1
Hazards
GHS pictograms
GHS Signal word Danger
H225, H304, H315, H319, H340, H350, H372
P201, P202, P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P281, P301+310, P302+352, P303+361+353, P305+351+338, P308+313, P314, P321, P331, P332+313, P337+313, P362, P370+378
NFPA 704 (fire diamond)
Flammability code 3: Liquids and solids that can be ignited under almost all ambient temperature conditions. Flash point between 23 and 38 °C (73 and 100 °F). E.g. gasolineHealth code 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformReactivity code 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
3
2
0
Flash point −11 °C (12 °F; 262 K)
Related compounds
Related compounds
 Benzene
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

References
  1. Fulmer, Gregory R.; Miller, Alexander J. M.; Sherden, Nathaniel H.; Gottlieb, Hugo E.; Nudelman, Abraham; Stoltz, Brian M.; Bercaw, John E.; Goldberg, Karen I. (2010). "NMR Chemical Shifts of Trace Impurities: Common Laboratory Solvents, Organics, and Gases in Deuterated Solvents Relevant to the Organometallic Chemist" (PDF). Organometallics. 29 (9): 2176–2179. doi:10.1021/om100106e.
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