2-Bromo-2-methylpropionyl bromide

• CAS: 20769-85-1
• Catalog Number: ACM20769851
• Category: Polymer/Macromolecule
• Molecular Weight: 229.9g/mol
• Molecular Formula: C4H6Br2O
• Synonyms: BROMOISOBUTYRYL(2-) BROMIDE;2-BROMOISOBUTYRYL BROMIDE;2-BROMO-2-METHYLPROPIONYL BROMIDE;A-BROMOISOBUTYRYL BROMIDE;ALPHA-BROMOISOBUTYRYL BROMIDE;2-Bromo-2-methylpropanoyl bromide;2-bromo-2-methyl-propanoylbromid;α-Bromoisobutyryl bromide
• IUPAC Name: 2-bromo-2-methylpropanoyl bromide
• Canonical SMILES: CC(C)(C(=O)Br)Br
• InChI: InChI=1S/C4H6Br2O/c1-4(2,6)3(5)7/h1-2H3
• InChI Key: YOCIJWAHRAJQFT-UHFFFAOYSA-N
• Boiling Point: 163.0 °C
• Application: 2-Bromo-2-methylpropionyl bromide serves as an essential compound in the chemical industry, primarily functioning as an intermediate in the synthesis of pharmaceuticals, agrochemicals, dyes, and other organic compounds. Its utility extends to acting as an atom transfer radical polymerization (ATRP) initiator, particularly for the functionalization of hydroxyl groups on the surface of graphene oxide. This compound is also instrumental in forming N-protected halodienamides that yield four- and five-membered lactams in the presence of copper (I) and a tertiary amine. Furthermore, it facilitates the preparation of polycaprolactone macroinitiators through reactions with oligomeric caprolactone diol and mesoporous silica nanoparticles, where the ATRP initiator is affixed to the exterior surface. Additionally, 2-bromo-2-methylpropionyl bromide is employed for the surface modification of Ethylene-vinyl alcohol (EVOH) copolymer films to cultivate surface-grafted poly(acrylamide) chains.
• Complexity: 87.7
• Covalently-Bonded Unit Count: 1
• EC Number: 244-017-3
• Exact Mass: 229.87649g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 7
• Monoisotopic Mass: 227.87854g/mol
• Rotatable Bond Count: 1
• UNII: 627F9N9DYA
• XLogP3: 2.2

Custom Q&A

What is the molecular formula of 2-Bromo-2-methylpropionyl bromide?

The molecular formula is C4H6Br2O.

What is the molecular weight of 2-Bromo-2-methylpropionyl bromide?

The molecular weight is 229.90 g/mol.

What is the IUPAC name of 2-Bromo-2-methylpropionyl bromide?

The IUPAC name is 2-bromo-2-methylpropanoyl bromide.

What is the InChI code of 2-Bromo-2-methylpropionyl bromide?

The InChI code is InChI=1S/C4H6Br2O/c1-4(2,6)3(5)7/h1-2H3.

What is the InChIKey of 2-Bromo-2-methylpropionyl bromide?

The InChIKey is YOCIJWAHRAJQFT-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-Bromo-2-methylpropionyl bromide?

The Canonical SMILES is CC(C)(C(=O)Br)Br.

What is the CAS number of 2-Bromo-2-methylpropionyl bromide?

The CAS number is 20769-85-1.

What is the European Community (EC) number of 2-Bromo-2-methylpropionyl bromide?

The European Community (EC) number is 244-017-3.

What is the UNII of 2-Bromo-2-methylpropionyl bromide?

The UNII is 627F9N9DYA.

Is 2-Bromo-2-methylpropionyl bromide a canonicalized compound?

Yes, it is a canonicalized compound.