Methyl α-bromoisobutyrate

Inquiry

Product Information

Molecular Formula:
C5H9BrO2
Molecular Weight:
181.03
Description
Methyl α-bromoisobutyrate was used in Reformatsky reaction to prepare 1,4-disubstituted 3,3-dimethylazetidin-2-ones.
Synonyms
methyl 2-bromo-2-methylpropanoate
IUPAC Name
methyl 2-bromo-2-methylpropanoate
Canonical SMILES
CC(C)(C(=O)OC)Br
InChI
InChI=1S/C5H9BrO2/c1-5(2,6)4(7)8-3/h1-3H3
InChI Key
PQUSVJVVRXWKDG-UHFFFAOYSA-N
Boiling Point
145.8 °C at760 mmHg
Flash Point
120.2 °F
Purity
98 %
Density
1.399 g/mLat20 °C (lit.)
Appearance
Powder
Storage
2-8 °C
Refractive Index
n20/D 1.461
LogP
1.33290

Safety Information

Hazards
H226 - H315 - H319 - H335
Precautionary Statement
P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
1.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
179.97859 g/mol
Monoisotopic Mass
179.97859 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
98.6
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

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

Calculate
The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

Calculate

Related Products

Polymer Applications
Packaging
Packaging

BOC Sciences can help you arrive at an optimal solution to improve your research projects and manufacturing process.

Read More
Automotive
Automotive

BOC Sciences can provide a wide variety of raw materials from upstream lines for automotive parts manufacturing, such as monomers, polymers and additives.

Read More
Composites
Composites

BOC Sciences supplies the necessary raw materials to help you manufacture ideal composites.

Read More
Healthcare
Healthcare

BOC Sciences can help our customers further understand the functionality and applicable requirements for raw materials in different healthcare segments.

Read More
Electronics
Electronics

BOC Sciences' seasoned experts can help you from upstream lines to arrive at the most appropriate solution to improve production and optimize your bottom line.

Read More
Packaging
Packaging

BOC Sciences can help you arrive at an optimal solution to improve your research projects and manufacturing process.

Read More
Automotive
Automotive

BOC Sciences can provide a wide variety of raw materials from upstream lines for automotive parts manufacturing, such as monomers, polymers and additives.

Read More
Customer Support
Customer Support
International
1-631-504-6093
US & Canada (Toll free)
1-844-BOC(262)-0123
UK
44-20-3286-1088
Ask a Question
Online Inquiry
  • Verification code
Navigation
USA
  • International: 1-631-504-6093
  • US & Canada (Toll free): 1-844-BOC(262)-0123
  • 45-16 Ramsey Road, Shirley, NY 11967, USA
  • Email: info@bocsci.com
  • Fax: 1-631-614-7828
UK
  • 44-20-3286-1088
  • 85 Great Portland Street, London, W1W 7LT
  • Email: info@bocsci.com
Copyright © 2025 BOC Sciences. All rights reserved.
Top
0
Inquiry Basket

No data available, please add!

Delete selectedGo to checkout

We use cookies to understand how you use our site and to improve the overall user experience. This includes personalizing content and advertising. Read our Privacy Policy

Accept Cookies
x