5-Bromophthalide

The IUPAC name of 5-Bromophthalide is 5-bromo-3H-2-benzofuran-1-one. With the CAS registry number 64169-34-2, it is also named as 1(3H)-Isobenzofuranone, 5-bromo-. The product's categories are Phthalides; Intermediatesofcitalopram; Miscellaneous Reagents. It is white to pale yellow crystalline solid which is used as intermediate of drug Citalopram. It is also stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 12.38; (6)ACD/BCF (pH 7.4): 12.38; (7)ACD/KOC (pH 5.5): 210.76; (8)ACD/KOC (pH 7.4): 210.76; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 43.24 cm³; (15)Molar Volume: 122.2 cm³; (16)Surface Tension: 52.4 dyne/cm; (17)Enthalpy of Vaporization: 62.55 kJ/mol; (18)Vapour Pressure: 6.63E-06 mmHg at 25°C; (19)Exact Mass: 211.947292; (20)MonoIsotopic Mass: 211.947292; (21)Topological Polar Surface Area: 26.3; (22)Heavy Atom Count: 11; (23)Complexity: 181.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure. 
1. SMILES:Brc1ccc2C(=O)OCc2c1
2. InChI:InChI=1/C8H5BrO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2
3. InChIKey:IUSPXLCLQIZFHL-UHFFFAOYAH