tert-Butyl α-bromoisobutyrate

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Molecular Formula:

C8H15BrO2

Molecular Weight:

223.11

CAS Number:

23877-12-5

Catalog Number:

23877-12-5

Product Information

Molecular Formula:

C8H15BrO2

Molecular Weight:

223.11

Description

tert-Butyl α-bromoisobutyrate was used as an initiator in the atom transfer radical polymerisation (ATRP) of 2-(acetoacetoxy)ethyl methacrylate (AEMA).

Synonyms

tert-butyl 2-bromo-2-methylpropanoate

IUPAC Name

tert-butyl 2-bromo-2-methylpropanoate

Canonical SMILES

CC(C)(C)OC(=O)C(C)(C)Br

InChI

InChI=1S/C8H15BrO2/c1-7(2,3)11-6(10)8(4,5)9/h1-5H3

InChI Key

IGVNJALYNQVQIT-UHFFFAOYSA-N

Boiling Point

162-164 °C (lit.)

Flash Point

>230 °F

Purity

97 %

Density

1.196 g/mL at 20 °C (lit.)

Appearance

Colorless to almost colorless clear liquid

Storage

2-8 °C

Refractive Index

n20/D 1.436

LogP

2.50160

Safety Information

Hazards

H302 - H315 - H319 - H335

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

2.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

222.02554 g/mol

Monoisotopic Mass

222.02554 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

156

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

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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tert-Butyl α-bromoisobutyrate

Product Information

Safety Information

Computed Properties

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