2-Bromo-5-nitrothiazole

The 2-Bromo-5-nitrothiazole, with the CAS registry number 3034-48-8, is also known as Thiazole, 2-bromo-5-nitro-. It belongs to the product categories of Blocks; Bromides; Nitro Compounds; Thiazoles; Heterocycles; Sulphur Derivatives; Halides; Thiazoles, Isothiazoles & Benzothiazoles; Thiazoles, Isothiazoles & Benzothiazoles; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Thiazoles Heterocyclic Building Blocks. Its EINECS registry number is 221-226-8. This chemical's molecular formula is C₃HBrN₂O₂S and molecular weight is 209.02. What's more, its IUPAC name is called 2-Bromo-5-nitro-1,3-thiazole. It should be kept in a cold and dry place.

Physical properties about 2-Bromo-5-nitrothiazole are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 10.71; (6)ACD/BCF (pH 7.4): 10.71; (7)ACD/KOC (pH 5.5): 190.02; (8)ACD/KOC (pH 7.4): 190.02; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 86.95 Å²; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 36.96 cm³; (15)Molar Volume: 100.1 cm³; (16)Surface Tension: 70.8 dyne/cm; (17)Density: 2.086 g/cm³; (18)Flash Point: 129 °C; (19)Enthalpy of Vaporization: 50.78 kJ/mol; (20)Boiling Point: 289.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00377 mmHg at 25 °C.

Preparation of 2-Bromo-5-nitrothiazole: this chemical can be prepared by 5-Nitro-thiazol-2-ylamine. This reaction needs reagents t-butyl thionitrate, CuBr₂ and solvent acetonitrile at temperature of 25 °C. The reaction time is 4.5 hours. The yield is 77 %.

Uses of 2-Bromo-5-nitrothiazole: it is used to produce other chemicals. For example, it can react with Dimethylamine to get Dimethyl-(5-nitro-thiazol-2-yl)-amine. The reaction occurs with solvent dimethylsulfoxide at ambient temperature.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefor, you should wear suitable protective clothing. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1sc(Br)nc1
(2) InChI: InChI=1S/C3HBrN2O2S/c4-3-5-1-2(9-3)6(7)8/h1H
(3) InChIKey: ANIJFZVZXZQFDH-UHFFFAOYSA-N