Synthesis of benzene-d6

Preparation of benzene-d6

Alternative Names: Hexadeuterobenzene; Perdeuterobenzene; Deuterated benzene; Benzene-1,2,3,4,5,6-d6; 1076-43-3;

Preparation of benzene-d6

Preparation of benzene-d6

Pure benzene is carefully dried over phosphorus pentoxide, then distilled into deuterium sulfate, and the mixture is shaken for 3-4 days, after which the benzene is distilled off in a vacuum into a fresh batch of deuterium sulfate. After four repetitions of these operations the benzene is transferred to a flask containing roasted barium oxide, after 12 hours to a flask containing phosphorus pentoxide, and after a further 15 min to a storage flask. The benzene-d6 obtained contains 99.8% of deuterium. For the same reaction phosphoric acid-d3 (D3PO4) is less powerful, in the other hand, deuterium chloride containing aluminum chloride is a more powerful reagent than deuterium sulfate; equilibrium is established already after 3 hours at 25° C if deuterium chloride is led into a suspension of aluminum chloride in benzene; 40 hours suffice for obtaining 36 ml of benzene-d6 containing 99.3% of deuterium.

J. Chem. Soc, 1936, 915, 1637; Z. Elektrochem. Angew. Phys. Chem., 44, 62 (1938);
Helv. Chim. Acta, 41, 889 (1958);
Helv. Chim. Acta, 41, 1831 (1958);

IUPAC Name

1,2,3,4,5,6-hexadeuteriobenzene

InChI

InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D

InChI Key

UHOVQNZJYSORNB-MZWXYZOWSA-N

Canonical SMILES

C1=CC=CC=C1

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H]

Depositor-Supplied Synonyms

Benzene-d6, Hexadeuterobenzene, Perdeuterobenzene, Deuterated benzene, Benzene-1,2,3,4,5,6-d6, 1076-43-3, UHOVQNZJYSORNB-MZWXYZOWSA-N, C6D6, hexadeuteriobenzene, D6-Benzene, (2H6)Benzene, AC1L2GGU, 151815_ALDRICH, 175870_ALDRICH, 175978_ALDRICH, 233358_ALDRICH, 236888_ALDRICH, 236977_ALDRICH, 308722_ALDRICH, 364940_ALDRICH, 434515_ALDRICH, 441325_ALDRICH, 442472_SUPELCO, 522104_ALDRICH, 549118_ALDRICH, 561509_ALDRICH, 570680_ALDRICH, DE25, MolPort-002-498-114, 1,2,3,4,5,6-hexadeuteriobenzene, EINECS 214-061-8, AKOS015888202, OR035117, OR199415, B0840, B3008, FT-0622637, Benzene-D6 “100%” >99.95 Atom % D, 52094-EP2298770A1, 52094-EP2301911A1, 52094-EP2301940A1, 52094-EP2308844A2, 52094-EP2308845A2, 52094-EP2308846A2, 52094-EP2308882A1, I01-10141

Removed Synonyms

ACODAZOLE, CID71601

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