32412-45-6

Basic information

• Product Name: 1-(5-bromothiophen-2-yl)-2-methylpropan-1-one
• CAS NO: 32412-45-6
• Molecular Formula: C₈H₉BrOS
• Molecular Weight: 233.1255
• Mol File: 32412-45-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 297.1°C at 760 mmHg
• Flash Point: 133.5°C
• Density: 1.456g/cm³
• Vapor Pressure: 0.00138mmHg at 25°C
• Refractive Index: 1.557
• CAS DataBase Reference: 1-(5-bromothiophen-2-yl)-2-methylpropan-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(5-bromothiophen-2-yl)-2-methylpropan-1-one(32412-45-6)
• EPA Substance Registry System: 1-(5-bromothiophen-2-yl)-2-methylpropan-1-one(32412-45-6)

Safety Data

• Hazardous Substances Data: 32412-45-6(Hazardous Substances Data)

Usage

General Description

1-(5-bromothiophen-2-yl)-2-methylpropan-1-one, also known as 5-Bromothiophene-2-acetylacetone, is a chemical compound with the molecular formula C10H11BrOS. It is a yellow to orange liquid with a molecular weight of 255.16 g/mol. 1-(5-bromothiophen-2-yl)-2-methylpropan-1-one is used in the synthesis of various pharmaceuticals, agrochemicals, and materials. It is also commonly used as an intermediate in the production of other organic compounds. 1-(5-bromothiophen-2-yl)-2-methylpropan-1-one has several applications in the fields of medicine, agriculture, and industry due to its versatile chemical properties and reactivity.

Upstream product

• 1003-09-4 2-bromothiophene 
• 97-72-3 2-Methylpropionic anhydride 

Relevant articles and documents

Magnetic Properties of π-Conjugated Hybrid Phenoxyl-Nitroxide Radicals with Extended π-Spin Delocalization

A series of stable and genuinely organic open-shell systems, π-conjugated phenoxyl-nitroxide free radicals (hybrid phenoxyl-nitroxide radicals), have been synthesized and their magnetic properties in the crystalline state investigated, revealing their usefulness as new building blocks for molecular magnetic materials. The salient electronic structure of the hybrid phenoxyl-nitroxide radicals is extended π-spin delocalization from the nitroxide moiety, mediating the localization effect intrinsic to nitroxide radicals. Five representative hybrid radicals containing an aliphatic, aromatic, and heteroaromatic substituent in the side part of the compact hybrid radical centers were synthesized, and their molecular/crystal structures in the crystalline state were determined by X-ray diffraction analyses. CW X-band ESR, 1H-ENDOR spectroscopy, and DFT calculations for the hybrid radicals confirmed that an unpaired spin delocalizes over the whole molecular frame including the nonconjugated fragments, suggesting the possibility of tuning their electronic properties through substituent effects in the crystalline state. Significant influence of the phenoxyl moiety on the electronic structure was analyzed in terms of the g-tensor calculations. The SQUID magnetization measurements revealed that the nitroxides bearing alkyl or aromatic substituents behave as 3D Curie-Weiss paramagnets with weak antiferromagnetic (AFM) (Θ = -1 to -2.6 K) or ferromagnetic (FM) (Θ = +0.33 K) spin-spin exchange interactions. On the other hand, heteroaromatically substituted hybrid phenoxyl-nitroxide showed significant AFM interactions with J/kB = -25.6 K. The analysis of the bulk magnetic properties based on the crystallographic data and DFT calculations revealed competition between the intermolecular AFM and FM interactions which originate from the C-O(phenoxyl)···Me(nitroxide) or (N)O-C(arom) infinite 1D head-to-tail chains and the C(arom)-C(arom) head-over-tail dimers forming 3D networks in their crystal lattices.