6-Bromo-2(3H)-benzothiazolone

• CAS: 62266-82-4
• Catalog Number: ACM62266824
• Category: Bromine Series
• Molecular Weight: 230.08
• Molecular Formula: C₇H₄BrNOS
• Synonyms: 6-Bromo-2-benzothiazolinone, 441910_ALDRICH, ZINC00135710, CID188444, SL-02095, ST5307652, 62266-82-4, InChI=1/C7H4BrNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10
• IUPAC Name: 6-bromo-3H-1,3-benzothiazol-2-one
• Canonical SMILES: C1=CC2=C(C=C1Br)SC(=O)N2
• InChI Key: HECJMTPEVWQFCY-UHFFFAOYSA-N
• Melting Point: 229-233ºC(lit.)
• Flash Point: > 200ºC (> 392.00 °F)
• Density: 1.815 g/cm³
• Appearance: colourless Liquid
• Exact Mass: 228.92000
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Safety Description: S24/25
• WGK Germany: 3

Synthetic Use

Upstream Synthesis Route 1

• 934-34-9

• 62266-82-4

Reference: [1] Journal of Heterocyclic Chemistry, 1988, vol. 25, p. 1503 - 1509

Upstream Synthesis Route 2

• 66416-72-6
• 68-12-2

• 62266-82-4

Reference: [1] RSC Advances, 2014, vol. 4, # 12, p. 6090 - 6093

Upstream Synthesis Route 3

• 80945-86-4

• 62266-82-4

Reference: [1]Journal of the Chemical Society,1930,p. 125,145

Upstream Synthesis Route 4

• 408328-13-2

• 62266-82-4

Reference: [1]Journal of Organic Chemistry,1953,vol. 18,p. 1092,1099

Downstream Synthesis Route 1

• 62266-82-4

• 80945-86-4

Reference: [1] Patent: WO2007/146066, 2007, A2, . Location in patent: Page/Page column 88-89

Downstream Synthesis Route 2

• 109-01-3
• 50-00-0
• 62266-82-4

• 85346-64-1

Reference: [1]Journal of Heterocyclic Chemistry,1989,vol. 26,p. 1245 - 1253

* For details of the synthesis route, please refer to the original source to ensure accuracy.