| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Bromobenzene-d5 does not have a specific biological receptor target. As a deuterated solvent and analytical standard, it is used primarily for its isotopic properties rather than for biological activity. The compound is used as a general reagent in palladium-catalyzed reactions and in the synthesis of Grignard reagents. Bromobenzene is a well-known environmental toxin that produces reactive metabolites through CYP450-mediated biological activation, which generates oxidative stress and leads to liver and kidney damage. However, Bromobenzene-d5 is used as a labeled standard for research purposes.
|
|---|---|
| ln Vitro |
Bromobenzene-d5 does not have specific in vitro biological activity as it is used as an analytical standard rather than a bioactive compound. However, the non-deuterated bromobenzene is known to produce reactive metabolites through CYP450-mediated biological activation, which generates oxidative stress and leads to liver and kidney damage. Bromobenzene-d5 is used as a general reagent in palladium-catalyzed reactions and in the synthesis of Grignard reagents.
|
| ln Vivo |
Bromobenzene-d5 does not have specific in vivo biological activity as it is used as an analytical standard. The compound is the deuterated form of bromobenzene, a well-known environmental toxin. Bromobenzene-d5 is used as an internal standard for analytical applications rather than for its biological effects.
|
| Enzyme Assay |
Bromobenzene-d5 does not have a specific in vitro enzyme/receptor binding assay as it is used as an analytical standard. The compound is typically used as an internal standard in mass spectrometry and NMR spectroscopy. For analytical applications, the compound is used to quantify bromobenzene or related compounds in environmental or biological samples.
|
| Cell Assay |
Bromobenzene-d5 does not have specific cellular assays as it is used as an analytical standard. The compound is typically used in analytical chemistry applications rather than in cell-based studies. For research purposes, the compound is handled as a deuterated solvent or internal standard.
|
| Animal Protocol |
Bromobenzene-d5 does not have specific in vivo animal study protocols as it is used as an analytical standard rather than a therapeutic compound. The compound is typically used in analytical applications to quantify bromobenzene or related compounds in biological samples.
|
| ADME/Pharmacokinetics |
Bromobenzene-d5 is used as an internal standard in analytical chemistry, and its pharmacokinetic properties are not relevant to its use as a standard. The compound has a molecular weight of approximately 162.04, a boiling point of 53°C (23 mmHg), and a melting point of -100°C. It is typically stored under standard laboratory conditions.
|
| Toxicity/Toxicokinetics |
There is no specific toxicity data reported for Bromobenzene-d5 as it is used as an analytical standard. However, the non-deuterated bromobenzene is a well-known environmental toxin that produces reactive metabolites through CYP450-mediated biological activation, leading to oxidative stress and liver and kidney damage. Standard safety precautions for handling deuterated solvents should be followed.
|
| References |
|
| Additional Infomation |
Bromobenzene-d5 is the deuterated form of bromobenzene used as an internal standard in analytical chemistry. The compound has a molecular formula of C6D5Br and a molecular weight of approximately 162.04. It is used as a general reagent in palladium-catalyzed reactions and in the synthesis of Grignard reagents. The isotopic purity is 99 atom % D.
|
| Molecular Formula |
C6D5BR
|
|---|---|
| Molecular Weight |
162.04
|
| Exact Mass |
160.989
|
| CAS # |
4165-57-5
|
| PubChem CID |
2723968
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.55
|
| Boiling Point |
53ºC (23 torr)
|
| Flash Point |
51ºC
|
| Index of Refraction |
n20/D 1.5585(lit.)
|
| LogP |
2.449
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
0
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
7
|
| Complexity |
46.1
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1([2H])=C([2H])C([2H])=C(C([2H])=C1[2H])Br
|
| InChi Key |
QARVLSVVCXYDNA-RALIUCGRSA-N
|
| InChi Code |
InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D
|
| Chemical Name |
1-bromo-2,3,4,5,6-pentadeuteriobenzene
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.1713 mL | 30.8566 mL | 61.7132 mL | |
| 5 mM | 1.2343 mL | 6.1713 mL | 12.3426 mL | |
| 10 mM | 0.6171 mL | 3.0857 mL | 6.1713 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
