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

CAS
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Purity
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CAS
648898-32-2
Size
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Purity
96%
Price
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Availability
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Quantity
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Catalog Number

ACM648898322-1

Product Name

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

Structure

Structure

CAS

648898-32-2

Category

Polymer/Macromolecule

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

Molecular Weight

567.10

Molecular Formula

C₁₇H₂₇Br₃O₆

Canonical SMILES

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

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

Melting Point

54-60 °C

Application

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

Assay

97%

Exact Mass

563.93600

Features And Benefits

1. High quality products
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Form

powder

H-Bond Acceptor

6

H-Bond Donor

0

MDL Number

MFCD16621493

NACRES

NA.23

Packaging

Packaging
1, 5 g in glass bottle

PubChem ID

329763984

Quality Level

100

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 1,1,1-Tris(2-bromoisobutyryloxymethyl)ethane?

The molecular formula is C17H27Br3O6.

What is the molecular weight of 1,1,1-Tris(2-bromoisobutyryloxymethyl)ethane?

The molecular weight is 567.1 g/mol.

What is the IUPAC name of 1,1,1-Tris(2-bromoisobutyryloxymethyl)ethane?

The IUPAC name is [3-(2-bromo-2-methylpropanoyl)oxy-2-[(2-bromo-2-methylpropanoyl)oxymethyl]-2-methylpropyl] 2-bromo-2-methylpropanoate.

What is the InChI of 1,1,1-Tris(2-bromoisobutyryloxymethyl)ethane?

The InChI is 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.

What is the InChIKey of 1,1,1-Tris(2-bromoisobutyryloxymethyl)ethane?

The InChIKey is VLRDGSDXAISNJF-UHFFFAOYSA-N.

What is the canonical SMILES of 1,1,1-Tris(2-bromoisobutyryloxymethyl)ethane?

The canonical SMILES is CC(C)(C(=O)OCC(C)(COC(=O)C(C)(C)Br)COC(=O)C(C)(C)Br).

What is the CAS number of 1,1,1-Tris(2-bromoisobutyryloxymethyl)ethane?

The CAS number is 648898-32-2.

What is the EC number of 1,1,1-Tris(2-bromoisobutyryloxymethyl)ethane?

The EC number is 687-410-9.

What is the hydrogen bond donor count of 1,1,1-Tris(2-bromoisobutyryloxymethyl)ethane?

The hydrogen bond donor count is 0.

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