5-Bromophthalide is a biochemical compound that may be utilized as a biomaterial or organic/chemical reagent for biomedical research.

Physicochemical Properties

Molecular Formula	C8H5BRO2
Molecular Weight	213.03
Exact Mass	211.947
CAS #	64169-34-2
PubChem CID	603144
Appearance	White to light yellow solid powder
Density	1.7±0.1 g/cm3
Boiling Point	377.7±42.0 °C at 760 mmHg
Melting Point	162-166 °C(lit.)
Flash Point	182.2±27.9 °C
Vapour Pressure	0.0±0.9 mmHg at 25°C
Index of Refraction	1.625
LogP	1.74
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Complexity	181
Defined Atom Stereocenter Count	0
SMILES	O=C1OCC2=C1C=CC(Br)=C2
InChi Key	IUSPXLCLQIZFHL-UHFFFAOYSA-N
InChi Code	InChI=1S/C8H5BrO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2
Chemical Name	5-bromo-3H-2-benzofuran-1-one
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

Solubility Data

Solubility (In Vitro)

DMSO: 25 mg/mL (117.35 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (11.74 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	4.6942 mL	23.4709 mL	46.9417 mL
	5 mM	0.9388 mL	4.6942 mL	9.3883 mL
	10 mM	0.4694 mL	2.3471 mL	4.6942 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.