Pyronil 45-[d34]

General Information
Catalog: BLP-003946
CAS: 1793944-59-8
Molecular Formula: C24D34Br4O4
Molecular Weight: 740.35
Related CAS: 26040-51-7 (unlabelled)
Synonyms 3,4,5,6-Tetrabromo-1,2-benzenedicarboxylic Acid 1,2-Bis(2-ethylhexyl-d34) Ester; Bis(2-ethylhexyl-d34) Tetrabromophthalate; Pyronil 45-d34
IUPAC Name bis[1,1,2,3,3,4,4,5,5,6,6,6-dodecadeuterio-2-(1,1,2,2,2-pentadeuterioethyl)hexyl] 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
Canonical SMILES CCCCC(CC)COC(=O)C1=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)OCC(CC)CCCC
InChI InChI=1S/C24H34Br4O4/c1-5-9-11-15(7-3)13-31-23(29)17-18(20(26)22(28)21(27)19(17)25)24(30)32-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D,16D
InChI Key UUEDINPOVKWVAZ-RFETUZSTSA-N
Boiling Point 584.8±45.0°C at 760 mmHg
Density 1.5±0.1 g/cm3
Solubility Soluble in Chloroform, Methanol
Appearance Clear Colorless to Pale Yellow Oil
Storage Store at-20°C

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