1-Bromo-4-ethynylbenzene is a biochemical compound that could be utilized as a biomaterial or organic/chemical reagent for biomedical research. 4-Bromophenylacetylene is a click chemical reagent. It contains Alkyne groups and could undergo CuAAc (copper-catalyzed azide-alkyne cycloaddition reaction) with compounds bearing an Azide group.

Physicochemical Properties

Molecular Formula	C8H5BR
Molecular Weight	181.03
Exact Mass	179.957
CAS #	766-96-1
PubChem CID	136603
Appearance	Off-white to yellow solid powder
Density	1.5±0.1 g/cm3
Boiling Point	199.2±23.0 °C at 760 mmHg
Melting Point	64-67 °C(lit.)
Flash Point	77.9±17.0 °C
Vapour Pressure	0.5±0.4 mmHg at 25°C
Index of Refraction	1.605
LogP	3.17
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	9
Complexity	123
Defined Atom Stereocenter Count	0
InChi Key	LTLVZQZDXQWLHU-UHFFFAOYSA-N
InChi Code	InChI=1S/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
Chemical Name	1-bromo-4-ethynylbenzene
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)

Biological Activity

ln Vitro

4-Bromophenylacetylene is a precursor material for asymmetric 1,4-diarylbutadiynes, heterocyclic triynes, and second-order nonlinear optical materials.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (552.39 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (13.81 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (13.81 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (13.81 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	5.5239 mL	27.6197 mL	55.2395 mL
	5 mM	1.1048 mL	5.5239 mL	11.0479 mL
	10 mM	0.5524 mL	2.7620 mL	5.5239 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.