3-Butynyl 2-bromoisobutyrate

Inquiry

Molecular Formula:

C8H11BrO2

Molecular Weight:

219.08

CAS Number:

1264291-66-8

Catalog Number:

1264291-66-8

Product Information

Molecular Formula:

C8H11BrO2

Molecular Weight:

219.08

Description

Atom Transfer Radical Polymerization (ATRP) initiator with alkyne functionality. Alkyne can be useful in coupling reactions/ligation.

Synonyms

Alkyl BiBB,Clickable ATRP initiator

IUPAC Name

but-3-ynyl 2-bromo-2-methylpropanoate

Canonical SMILES

CC(C)(C(=O)OCCC#C)Br

InChI

InChI=1S/C8H11BrO2/c1-4-5-6-11-7(10)8(2,3)9/h1H,5-6H2,2-3H3

InChI Key

MOHWQOXHTWRDGD-UHFFFAOYSA-N

Boiling Point

162-164 °C(lit.)

Flash Point

208.4 °F

Purity

97% (GC)

Density

1.295 g/mL at 25 °C

Appearance

powder

Storage

2-8°C

Refractive Index

n20/D 1.470

Safety Information

Hazards

H302

Computed Properties

XLogP3

2.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

217.99424 g/mol

Monoisotopic Mass

217.99424 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

188

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
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
CN-108911654-B	Modified graphene oxide concrete crack repairing material and preparation method thereof	2018-08-15
EP-3495040-A1	Porous materials, method for producing same and uses thereof	2017-12-08
WO-2019110318-A1	Porous materials, method for producing same and uses thereof	2017-12-08
WO-2018209293-A2	Nanoscale multiple emulsions and nanoparticles	2017-05-11
US-2020385503-A1	Nanoscale multiple emulsions and nanoparticles	2017-05-11
US-11254773-B2	Nanoscale multiple emulsions and nanoparticles	2017-05-11
US-10211400-B2	Photopatterned growth of electronically active brush polymers for light emitting diode displays	2017-03-31
US-10228619-B2	Photopatterned growth of electronically active brush polymers for light emitting diode displays	2017-03-31

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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