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175978 Sigma-Aldrich

Benzene-d6

99 atom % D

Synonym: Hexadeuterobenzene

  • CAS Number 1076-43-3

  • Empirical Formula (Hill Notation) C6D6

  • Molecular Weight 84.15

  •  Beilstein/REAXYS Number 1905426

  •  EC Number 214-061-8

  •  MDL number MFCD00003010

  •  PubChem Substance ID 24850541

  •  NACRES NA.21

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Properties

Related Categories Alphabetical Listings, B, Benzene-d6, NMR Solvents, NMR Solvents and Reagents,
Quality Level   100
isotopic purity   99 atom % D
assay   ≥99.00%
expl. lim.   0.34-6.3 % (lit.)
impurities   ≤0.0100% water
water
refractive index   n20/D 1.497 (lit.)
bp   79.1 °C/760 mmHg (lit.)
mp   6.8 °C (lit.)
density   0.950 g/mL at 25 °C (lit.)
mass shift   M+6
SMILES string   [2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]
InChI   1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
InChI key   UHOVQNZJYSORNB-MZWXYZOWSA-N

Description

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

50 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
RIDADR 
UN1114 - class 3 - PG 2 - Benzene, solution
WGK Germany 
3
Flash Point(F) 
12.2 °F
Flash Point(C) 
-11 °C

Dispensette™ S
Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Peer-Reviewed Papers
15

References

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