1,1,1-Tris(2-bromoisobutyryloxymethyl)ethane

Inquiry

Molecular Formula:

C17H27Br3O6

Molecular Weight:

567.10

CAS Number:

648898-32-2

Catalog Number:

648898-32-2

Product Information

Molecular Formula:

C17H27Br3O6

Molecular Weight:

567.10

Description

Atom Transfer Radical Polymerization (ATRP) initiator for the creation of trifunctional polymers.Polymerization will occur at three sites creating a three-arm star polymer.

Synonyms

3f-BiB, Trifunctional initiator

IUPAC Name

[3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2-bromo-2-methylpropanoate

Canonical SMILES

CC(C)(C(=O)OCC(C)(COC(=O)C(C)(C)Br)COC(=O)C(C)(C)Br)Br

InChI

InChI=1S/C17H27Br3O6/c1-14(2,18)11(21)24-8-17(7,9-25-12(22)15(3,4)19)10-26-13(23)16(5,6)20/h8-10H2,1-7H3

InChI Key

VLRDGSDXAISNJF-UHFFFAOYSA-N

Boiling Point

188-194 °C

Melting Point

54-60 °C

Flash Point

>230 °F

Purity

97%

Appearance

powder

Storage

2-8°C

Refractive Index

n20/D 1.465

Computed Properties

XLogP3

4.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

565.93373 g/mol

Monoisotopic Mass

563.93578 g/mol

Topological Polar Surface Area

78.9Å²

Heavy Atom Count

Formal Charge

Complexity

469

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-113912795-A	Polyisomonoolefin copolymer, preparation method thereof, initiator and application	2021-09-30
JP-2022039817-A	Photoresponsive polymers, photoresponsive adhesives, toners, and image forming methods	2020-08-28
US-2022066345-A1	Photoresponsive polymer, photoresponsive adhesive, toner, and image forming method	2020-08-28
JP-2022031010-A	Photoresponsive polymer	2020-08-07
US-2022043366-A1	Photoresponsive polymer	2020-08-07
CN-113881015-A	Method for reducing emissions of polyurethanes	2020-07-02
WO-2021259832-A1	Viscoelastic elastomeric polyurethane foams, process for preparing them and use thereof	2020-06-22
EP-3916029-A1	Novel methacrylate copolymer and compositions comprising it	2020-05-28
WO-2021239787-A1	Novel methacrylate copolymer and compositions comprising it	2020-05-28
EP-3901704-A1	Photoresponsive material, adhesive, optical switching material, toner, and image forming method	2020-04-24

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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1,1,1-Tris(2-bromoisobutyryloxymethyl)ethane

Product Information

Computed Properties

Patents

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