| Identification | More | [Name]
6-BROMO-2-BENZOTHIAZOLINONE | [CAS]
62266-82-4 | [Synonyms]
6-BROMO-2-BENZOTHIAZOLINONE
6-BROMO-3H-BENZOTHIAZOL-2-ONE
6-BROMO-2(3H)-BENZOTHIAZOLONE
6-Bromo-2-hydroxybenzothiazole
6-BROMO-2-BENZOTHIAZOLINONE 98% | [Molecular Formula]
C7H4BrNOS | [MDL Number]
MFCD00239363 | [Molecular Weight]
230.08 | [MOL File]
62266-82-4.mol |
| Chemical Properties | Back Directory | [Appearance]
white to off-white crystalline powder | [Melting point ]
229-233 °C (lit.) | [density ]
1.7496 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Crystalline Powder | [pka]
9.50±0.20(Predicted) | [color ]
White to off-white | [InChI]
1S/C7H4BrNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10) | [InChIKey]
HECJMTPEVWQFCY-UHFFFAOYSA-N | [SMILES]
Brc1ccc2NC(=O)Sc2c1 | [CAS DataBase Reference]
62266-82-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [HazardClass ]
IRRITANT | [HS Code ]
29342000 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
white to off-white crystalline powder | [Uses]
Synthesis of 6-bromo-2-benzothiazolinone has been reported. Density of 6-bromo-2-benzothiazolinone is 1.7496 g/cm3 at 25°C. | [General Description]
Synthesis of 6-bromo-2-benzothiazolinone has been reported. Density of 6-bromo-2-benzothiazolinone is 1.7496 g/cm3 at 25°C. | [Synthesis]
General procedure for the synthesis of 6-bromo-2-benzothiazolinone from 2-hydroxybenzothiazole: Bromine (5.1 mL, 99.2 mmol) was slowly added dropwise to a solution of 3H-benzothiazol-2-one (7) (5 g, 33.1 mmol) in dichloromethane (DCM) (200 mL). The reaction mixture was stirred at room temperature for 3 hours. After completion of the reaction, the precipitate was collected by filtration, washed with ether and dried to give the target compound 8 as a white powder (6.85 g, 90% yield). Compound 8 had the molecular formula C7H4BrNOS, molecular weight of 230.1 g/mol, and melting point of 229-231 °C. 1H NMR (300 MHz, CDCl3) data were as follows: δ 7.03 (d, 1H, J = 8.9 Hz), 7.43 (dd, 1H, J = 1.7 Hz, 8.9 Hz), 7.85 (d, 1H, J = 1.7 Hz). Mass spectra (ESI+) showed m/z 229.8 [M + H79Br]+ and 231.7 [M + H81Br]+. | [References]
[1] Journal of Heterocyclic Chemistry, 1988, vol. 25, p. 1503 - 1509
[2] European Journal of Medicinal Chemistry, 2017, vol. 137, p. 310 - 326
[3] Monatshefte fur Chemie, 2011, vol. 142, # 1, p. 67 - 80
[4] European Journal of Medicinal Chemistry, 2015, vol. 92, p. 807 - 817
[5] Bollettino Scientifico della Facolta di Chimica Industriale di Bologna, 1944, vol. 5, p. 11,14, 16, 18 |
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