6-BROMOBENZOXAZOLE

The 2-Amino-6-bromobenzoxazole, with the CAS registry number 52112-66-0, is also known as Benzoxazole, 2-amino-6-bromo-. Its molecular formula is C₇H₅BrN₂O and its IUPAC name is 6-bromo-1,3-benzoxazol-2-amine. Moreover, this chemical used for dry powder, foam, sand, carbon dioxide and water spray is deeply toxic. Additionally, its product category is Miscellaneous and its classification code is Drug / Therapeutic Agent.

Other characteristics of the 2-Amino-6-bromobenzoxazole can be summarised as followings: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 59.27; (6)ACD/BCF (pH 7.4): 59.32; (7)ACD/KOC (pH 5.5): 646.44; (8)ACD/KOC (pH 7.4): 646.98; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.27 Å²; (13)Index of Refraction: 1.715; (14)Molar Refractivity: 46.41 cm³; (15)Molar Volume: 118 cm³; (16)Polarizability: 18.39×10^-24cm³; (17)Surface Tension: 65.3 dyne/cm; (18)Density: 1.804 g/cm³; (19)Flash Point: 159.7 °C; (20)Enthalpy of Vaporization: 58.4 kJ/mol; (21)Boiling Point: 340.4 °C at 760 mmHg; (22)Vapour Pressure: 8.6E-05 mmHg at 25°C.

Uses of the 2-Amino-6-bromobenzoxazole: It could react with butynedioic acid dimethyl ester to obtain the 7-bromo-2-oxo-2H-9-oxa-1,4a-diaza-fluorene-4-carboxylic acid methyl ester. This reaction needs the solvent of ethanol. The yield is 35 %. In addition, this reaction should be taken for 3 hours by heating.

You can still convert the following datas into molecular structure: 
1.SMILES: Brc1ccc2nc(oc2c1)N
2.InChI: InChI=1/C7H5BrN2O/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
3.InChIKey: APUYIVHTTCCVMF-UHFFFAOYAG

The toxicity data is as follows: