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2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate-[d17]

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General Information
Catalog: BLP-002550
CAS: 1794752-19-4
Molecular Formula: C15HD17Br4O2
Molecular Weight: 567.02

Chemical Structure

Description	2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate-[d17] is the labelled analogue of 2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate, which is a flame retardant.
Synonyms	2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate-d17; 2,3,4,5-Tetrabromobenzoic Acid 2-Ethylhexyl-d17 Ester; TBB-d17
IUPAC Name	[1,1,2,3,3,4,4,5,5,6,6,6-dodecadeuterio-2-(1,1,2,2,2-pentadeuterioethyl)hexyl] 2,3,4,5-tetrabromobenzoate
Related CAS	183658-27-7 (unlabelled)
Canonical SMILES	CCCCC(CC)COC(=O)C1=CC(=C(C(=C1Br)Br)Br)Br
InChI	InChI=1S/C15H18Br4O2/c1-3-5-6-9(4-2)8-21-15(20)10-7-11(16)13(18)14(19)12(10)17/h7,9H,3-6,8H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,8D2,9D
InChI Key	HVDXCGSGEQKWGB-BVKQVPBCSA-N
Purity	98%; ≥ 98% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	Clear Colourless to Yellow Oil
Storage	2-8 °C