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Product Overview

Product Code

TRC-E918802

Product Format

Neat

Molecular Formula

C16HD17Br4O4

Molecular Weight

611.03

Product Categories

TRC, Flame Retardant Reference Materials and Research Chemicals, Stable isotopes

Product Type

Stable Isotope Labelled, Contaminant

Unlabelled CAS Number

61776-60-1

Product Information

Chemical Data

Analyte Name

2-Ethylhexyl Tetrabromophthalate-d17

Molecular Formula

C16HD17Br4O4

Molecular Weight

611.03

Accurate Mass

606.9

SMILES

BrC1=C(Br)C(Br)=C(Br)C(C(O)=O)=C1C(OC([2H])([2H])C(C([2H])([2H])C([2H])([2H])[2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O

InChI

InChI=1S/C16H18Br4O4/c1-3-5-6-8(4-2)7-24-16(23)10-9(15(21)22)11(17)13(19)14(20)12(10)18/h8H,3-7H2,1-2H3,(H,21,22)/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D

IUPAC

2,3,4,5-tetrabromo-6-(((2-(ethyl-d5)hexyl-1,1,2,3,3,4,4,5,5,6,6,6-d12)oxy)carbonyl)benzoic acid

Unlabelled CAS Number

61776-60-1

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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2-Ethylhexyl Tetrabromophthalate-d17

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