Cas no 4165-57-5 (Bromobenzene-d5)

Bromobenzene-d5 (C6D5Br) is a deuterated analog of bromobenzene, where all five hydrogen atoms on the benzene ring are replaced by deuterium. This isotopically labeled compound is widely used as a solvent and reagent in NMR spectroscopy, offering enhanced signal resolution due to the absence of proton interference. Its high isotopic purity (>98% D) ensures reliable performance in mechanistic studies, kinetic experiments, and as an internal standard in analytical applications. Bromobenzene-d5 is particularly valuable in organic synthesis and pharmaceutical research, where precise deuteration is required for tracing reaction pathways or studying metabolic processes. The compound’s stability and compatibility with a range of reaction conditions make it a versatile tool in deuterium-labeled chemistry.
Bromobenzene-d5 structure
Bromobenzene-d5 structure
Product Name:Bromobenzene-d5
CAS No:4165-57-5
MF:C6H5Br
MW:162.038709402084
MDL:MFCD00000056
CID:84950
PubChem ID:24850526
Update Time:2025-06-22

Bromobenzene-d5 Chemical and Physical Properties

Names and Identifiers

    • Bromobenzene-d5
    • Ammonium-d4 chloride
    • 1-bromopentadeuteriobenzene
    • 1-bromopentadeuterobenzene
    • Benzene-d5,bromo
    • d5-phenyl bromide
    • EINECS 224-013-8
    • Pentadeuterobromobenzene
    • 1-BROMO((2)H?)BENZENE
    • C6D5Br
    • Bromobenzene-d5, 99.5 atom % D
    • Bromobenzene-d5, reagent grade, >=99 atom % D, >=99% (CP)
    • BROMOBENZENE-D5-D
    • Benzene-d5, bromo-
    • 1-Bromo(~2~H_5_)benzene
    • 4165-57-5
    • SCHEMBL762140
    • Bromo(2H5)benzene
    • MFCD00000056
    • DTXSID50961874
    • AKOS015888356
    • 1-bromo-2,3,4,5,6-pentadeuteriobenzene
    • Bromobenzene-d5 (Reagent grade)
    • QARVLSVVCXYDNA-RALIUCGRSA-N
    • DB-254105
    • MDL: MFCD00000056
    • Inchi: 1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D
    • InChI Key: QARVLSVVCXYDNA-RALIUCGRSA-N
    • SMILES: BrC1C([2H])=C([2H])C([2H])=C([2H])C=1[2H]

Computed Properties

  • Exact Mass: 160.98900
  • Monoisotopic Mass: 160.989
  • Isotope Atom Count: 5
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 46.1
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Color/Form: Colorless liquid
  • Density: 1.538?g/mL?at 25?°C
    1.539?g/mL?at 25?°C(lit.)
  • Melting Point: No data available
  • Boiling Point: 156?°C
    53?°C/23?mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:123.8°F
    Degrees Celsius:51°C
  • Refractive Index: n20/D 1.5585(lit.)
  • Solubility: Insoluble in water.
  • Water Partition Coefficient: Insoluble in water.
  • PSA: 0.00000
  • LogP: 2.44910
  • Solubility: Uncertain
  • Vapor Pressure: No data available

Bromobenzene-d5 Security Information

  • Symbol: GHS02 GHS07 GHS09
  • Signal Word:Warning
  • Hazard Statement: H226,H315,H411
  • Warning Statement: P273
  • Hazardous Material transportation number:UN 2514 3/PG 3
  • WGK Germany:1
  • Hazard Category Code: 10-38-51/53
  • Safety Instruction: S61
  • FLUKA BRAND F CODES:8-10
  • Hazardous Material Identification: Xi N
  • Safety Term:S61
  • Packing Group:III
  • Packing Group:III
  • Risk Phrases:R10; R38; R51/53
  • HazardClass:3
  • PackingGroup:III
  • Storage Condition:Argon filled storage

Bromobenzene-d5 Pricemore >>

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Bromobenzene-d5 Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:4165-57-5)Bromobenzene-d5
Order Number:A1210216
Stock Status:in Stock
Quantity:50.0g/100.0g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:59
Price ($):225.0/439.0
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:4165-57-5)氘代溴苯
Order Number:LE25903295
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:52
Price ($):discuss personally

Additional information on Bromobenzene-d5

Bromobenzene-d5 (CAS No. 4165-57-5): A Comprehensive Overview

Bromobenzene-d5 (CAS No. 4165-57-5) is a deuterated derivative of bromobenzene, widely used in various scientific and industrial applications, particularly in the fields of organic synthesis, analytical chemistry, and materials science. This compound is characterized by its unique isotopic composition, which makes it an invaluable tool for researchers and scientists working on advanced chemical and biological studies.

The molecular formula of Bromobenzene-d5 is C6D5Br, and its molecular weight is approximately 163.02 g/mol. The presence of deuterium atoms (D) in place of hydrogen atoms (H) significantly alters the physical and chemical properties of the molecule, making it particularly useful in nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS). These techniques are essential for elucidating the structure and behavior of complex organic molecules.

In recent years, Bromobenzene-d5 has gained attention in the field of medicinal chemistry due to its potential applications in drug discovery and development. Deuterated compounds are known to exhibit altered metabolic profiles compared to their non-deuterated counterparts, which can lead to improved pharmacokinetic properties such as increased stability and reduced toxicity. This property makes Bromobenzene-d5 a valuable starting material for the synthesis of novel pharmaceuticals.

One of the key areas where Bromobenzene-d5 has shown promise is in the development of radiolabeled tracers for positron emission tomography (PET). PET imaging is a non-invasive diagnostic tool used to visualize and measure biological processes in living organisms. Deuterated compounds can be labeled with positron-emitting isotopes such as carbon-11 or fluorine-18, making them suitable for PET studies. The use of Bromobenzene-d5 in this context can enhance the sensitivity and specificity of PET imaging, leading to more accurate diagnoses and better treatment outcomes.

In addition to its applications in medicinal chemistry, Bromobenzene-d5 is also utilized in environmental research. Deuterated compounds are often used as tracers to study the fate and transport of organic pollutants in environmental systems. The stable isotopic composition of Bromobenzene-d5 allows researchers to track its movement through soil, water, and air with high precision. This information is crucial for understanding the environmental impact of industrial activities and developing strategies for pollution mitigation.

The synthesis of Bromobenzene-d5 involves several well-established methods, including direct deuteration of bromobenzene using deuterium gas or deuterium oxide (D2O) in the presence of a suitable catalyst. Recent advancements in catalytic deuteration have led to more efficient and cost-effective synthetic routes, making Bromobenzene-d5 more accessible to researchers worldwide.

In terms of safety and handling, while Bromobenzene-d5 is generally considered safe when proper precautions are taken, it is important to handle it with care due to its potential reactivity with certain materials. Users should always follow standard laboratory safety protocols, including wearing appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats.

The market demand for deuterated compounds like Bromobenzene-d5 continues to grow as researchers explore new applications in various fields. Leading chemical suppliers offer high-purity grades of this compound, ensuring consistent quality and reliability for both academic and industrial use. As research progresses, it is likely that new applications for Bromobenzene-d5 will be discovered, further expanding its utility in the scientific community.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:4165-57-5)Bromobenzene-d5
A1210216
Purity:99%/99%
Quantity:50.0g/100.0g
Price ($):225.0/439.0
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:4165-57-5)氘代溴苯
LE25903295
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email