Deuterated benzene

C6D6CAS 1076-43-384.15 g/mol

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Properties

Molecular formula
C6D6
Molar mass
84.15 g/mol
Exact mass
84.0846 Da
Density
0.954 g/mL (at 17 °C)
Melting point
−1 °C
Boiling point
82.5 °C
logP
1.69Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 57 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P318, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
1076-43-3
SMILES
[2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]
InChIKey
UHOVQNZJYSORNB-MZWXYZOWSA-N
InChI
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names
  • Benzene-1,2,3,4,5,6-d6
  • Benzene-d6
  • Hexadeuterobenzene
  • Perdeuterobenzene
  • Perdeuteriobenzene
  • Hexadeuteriobenzene
  • Deuterobenzene
  • Perdeuterated benzene

Work with Deuterated benzene

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere