Isotope Science / Alfa Chemistry

2,4-Dinitrotoluene-3,5,6-d3 (98 atom % D, min 98% Chemical Purity)

Catalog Number ACM93951689-1
CAS 93951-68-9
Structure Structure
Synonyms Benzene-1,2,4-d3, 6-methyl-3,5-dinitro- (9CI), 2,4-Dinitrotoluene (ring-D3), 2,4-Dinitrotoluene (phenyl-D3), 2,4-Dinitro-3,5,6-trideuteriotoluene, 1-Methyl-2,4-dinitrobenzene-3,5,6-d3
IUPAC Name 1,2,5-trideuterio-3-methyl-4,6-dinitrobenzene
Molecular Weight 185.15
Molecular Formula C7D3H3N2O4
Canonical SMILES [2H]c1c([2H])c(c([2H])c(c1C)[N+](=O)[O-])[N+](=O)[O-]
InChI InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3/i2D,3D,4D
Accurate Mass 185.0516
Format Neat
SIL Type Deuterium
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