ChemicalBook--->CAS DataBase List--->4342-40-9

4342-40-9

4342-40-9 Structure

4342-40-9 Structure
IdentificationBack Directory
[Name]

HEXAMETHYLBENZENE-D18
[CAS]

4342-40-9
[Synonyms]

Mellitene-d18
HEXAMETHYLBENZENE-D18
Benzene,hexa(methyl-d3)-
Hexamethylbenzene, deuterated
HEXAMETHYLBENZENE-D18,99ATOM%D
1,2,3,4,5,6-hexakis(triprotiomethyl)benzene
[Molecular Formula]

C12D18
[MDL Number]

MFCD00144445
[MOL File]

4342-40-9.mol
[Molecular Weight]

180.38
Chemical PropertiesBack Directory
[Melting point ]

165-167 °C(lit.)
[solubility ]

Chloroform (Slightly)
[form ]

Solid
[color ]

White to Off-White
[InChI]

1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3/i1D3,2D3,3D3,4D3,5D3,6D3
[InChIKey]

YUWFEBAXEOLKSG-NBDUPMGQSA-N
[SMILES]

[2H]C([2H])([2H])c1c(c(c(c(c1C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])[2H]
[CAS Number Unlabeled]

87-85-4
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Hexamethylbenzene-d18 is the deuterium labeled Hexamethylbenzene[1].
[References]

[1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. DOI:10.1177/1060028018797110
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