| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
|
||
| 1g |
|
| Targets |
This compound does not have a biological target. It is a synthetic reagent for building more complex molecules. The final products may target various biological systems, but the intermediate itself is not bioactive.
|
|---|---|
| ln Vitro |
In vitro, this compound is used in nucleophilic substitutions at the benzylic bromine and cross‑coupling at the aryl bromine. It is employed in the synthesis of antifungal agents, anti‑inflammatory drugs, and other heterocyclic compounds. Its bifunctional reactivity is highly valuable.
|
| ln Vivo |
In vivo, it is not administered as a drug.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable. Characterization includes GC, HPLC, NMR, and MS.
|
| Cell Assay |
In vitro cellular assays are not performed.
|
| Animal Protocol |
In vivo animal studies are not conducted.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data are not available.
|
| Toxicity/Toxicokinetics |
The compound is a laboratory chemical; handle with care. It may cause burns and irritation.
|
| Additional Infomation |
4‑Bromo‑3‑bromomethyl‑benzoic acid ethyl ester is a research intermediate used in organic synthesis. It is not approved for clinical use.
|
| Exact Mass |
319.904
|
|---|---|
| CAS # |
347852-72-6
|
| PubChem CID |
22574851
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.7±0.0 g/cm3
|
| Boiling Point |
368.7±0.0 °C at 760 mmHg
|
| Flash Point |
176.8±0.0 °C
|
| Vapour Pressure |
0.0±0.0 mmHg at 25°C
|
| Index of Refraction |
1.579
|
| LogP |
4.18
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
14
|
| Complexity |
197
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCOC(=O)C1=CC(=C(C=C1)Br)CBr
|
| InChi Key |
BMPAWOLCRAJVPC-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H10Br2O2/c1-2-14-10(13)7-3-4-9(12)8(5-7)6-11/h3-5H,2,6H2,1H3
|
| Chemical Name |
ethyl 4-bromo-3-(bromomethyl)benzoate
|
| 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
|
|---|
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
