Basic Information | Post buying leads | Suppliers | Cas Database |
The IUPAC name of 6-Bromooxindole is 6-bromo-1,3-dihydroindol-2-one. With the CAS registry number 99365-40-9, it is also named as 2H-Indol-2-one, 6-bromo-1,3-dihydro-. The product's categories are Blocks; Bromides; Indoles Oxindoles; Indoline & Oxindole; Halogenated Heterocycles; Heterocyclic Building Blocks; Indoles; Indoles Building Blocks. It is light yelllow crystal which should be sealed in the container and stored in the cool and dry place with the temperature of 2-8 °C.
The other characteristics of 6-Bromooxindole can be summarized as: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.39; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 38.7; (6)ACD/BCF (pH 7.4): 38.7; (7)ACD/KOC (pH 5.5): 476.53; (8)ACD/KOC (pH 7.4): 476.53; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.625; (13)Molar Refractivity: 44.98 cm3; (14)Molar Volume: 127.2 cm3; (15)Polarizability: 17.83×10-24 cm3; (16)Surface Tension: 49.1 dyne/cm; (17)Enthalpy of Vaporization: 58.75 kJ/mol; (18)Vapour Pressure: 6.97E-05 mmHg at 25°C; (19)Tautomer Count: 3; (20)Exact Mass: 210.963276; (21)MonoIsotopic Mass: 210.963276; (22)Topological Polar Surface Area: 29.1; (23)Heavy Atom Count: 11; (24)Complexity: 183.
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 protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:Brc1ccc2c(c1)NC(=O)C2
2. InChI:InChI=1/C8H6BrNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
3. InChIKey:JARRYVQFBQVOBE-UHFFFAOYAR