256386-08-0

Basic information

• Product Name: 1,3-dibromo-5-(dibromomethyl)benzene
• Synonyms: 1,3-Dibromo-5-(dibromomethyl)benzene; benzene, 1,3-dibromo-5-(dibromomethyl)-
• CAS NO: 256386-08-0
• Molecular Formula: C₇H₄Br₄
• Molecular Weight: 407.7227
• Mol File: 256386-08-0.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 347.5°C at 760 mmHg
• Flash Point: 159.9°C
• Density: 2.467g/cm³
• Vapor Pressure: 0.000107mmHg at 25°C
• Refractive Index: 1.674
• CAS DataBase Reference: 1,3-dibromo-5-(dibromomethyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-dibromo-5-(dibromomethyl)benzene(256386-08-0)
• EPA Substance Registry System: 1,3-dibromo-5-(dibromomethyl)benzene(256386-08-0)

Safety Data

• Hazardous Substances Data: 256386-08-0(Hazardous Substances Data)

Usage

Chemical structure

A benzene ring with two bromine atoms at positions 1 and 3, and a dibromomethyl group attached at position 5.

Reactivity

Highly reactive compound.

Applications

Primarily used as a chemical intermediate in the production of various organic compounds.

Industries

Commonly used in the synthesis of pharmaceuticals, agrochemicals, and polymers.

Research and development

Used as a building block in the development of new materials and research applications.

Environmental and health concerns

Considered a potential environmental and human health hazard due to its toxic and potentially carcinogenic properties.

Safety precautions

Appropriate handling, storage, and disposal measures should be taken to minimize exposure and environmental impact.

Upstream product

• 626-39-1 1,3,5-trisbromobenzene 
• 1611-92-3 3,5-dibromotoluene 
• 56990-02-4 3,5-dibromobenzaldehyde 

Downstream Products

• 256386-21-7 C₈₈H₆₄Br₈O₈ 
• 935537-58-9 C₁₀₀H₁₂₀Br₈O₈ 

Relevant articles and documents

Synthesis of Water-Soluble Deep-Cavity Cavitands

An efficient, four-step synthesis of a range of water-soluble, deep-cavity cavitands is presented. Key to this approach are octahalide derivatives (4, X = Cl or Br) that allow a range of water-solubilizing groups to be added to the outer surface of the co

Guest binding and orientation within open nanoscale hosts

The synthesis of three different nanoscale molecular hosts is reported. These cavitands each possess a highly preorganized cavity with an open portal (nearly 1 nm wide), by which guests can enter and egress the cavity. Additionally, these hosts are deep-functionalized with a crown of weakly acidic benzal C-H groups which can form a variety of noncovalent interactions with guest molecules residing within the cavity. Thirty-one guests were examined for their propensity to form complexes with the hosts. Guests that possess halogen atoms were the strongest binders, suggesting the formation of polydentate C-H···X-R hydrogen bonds with the deep crown of benzal hydrogens. Exchange rates between the free and bound states were noted to be dependent on the size of the guest and the solvent used to study complexation. In general, stronger binding and slower exchange were noted for complexations carried out in DMSO with highly complementary guests. The orientation of each guest within the cavity was determined using either EXSY NMR spectroscopy or 1H NMR shift data, Cumulatively these results showed that the principal factors directing orientation were interactions with the benzal groups and the type of solvent. Van't Hoff analyses of selected complexations were also carried out. As well as revealing that all complexations were entropically unfavorable, these experiments provided support for guest orientation determinations, and gave an estimation that the formation of a C-H···I-R hydrogen bond releases between 1 and 1.5 kcalmol-1.

Functionalized Deep-Cavity Cavitands

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