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CAS Number: 214701-49-2
1-(5-bromopyridin-2-yl)ethanone

Structure

1-(5-bromopyridin-2-yl)ethanone
Name: 1-(5-bromopyridin-2-yl)ethanone
Synonyms:
General Information
Product Number: 214701492
CAS Registry Number:
214701-49-2
Name:
Ethanone, 1-​(5-​bromo-​2-​pyridinyl)​-
1-​(5-​Bromopyridin-​2-​yl)​ethanone; 2-​Acetyl-​5-​bromopyridine 
 
Chemical Formula: C7H6BrNO
Exact Mass: 198.96
Molecular Weight: 200.03
m/z: 198.96 (100.0%), 200.96 (97.3%), 201.96 (7.7%), 199.97 (7.7%)
Elemental Analysis: C, 42.03; H, 3.02; Br, 39.95; N, 7.00; O, 8.00
 
InChI: InChI=1S/C7H6BrNO/c1-5(10)7-3-2-6(8)4-9-7/h2-4H,1H3
InChIKey: IDZRAUUUHXQGKC-UHFFFAOYSA-N
Canonical SMILES : CC(=O)C1=NC=C(C=C1)Br
 
Thermal Properties Value Condition Note
Melting Point 112 °C   (4)CAS
Melting Point 109-111 °C   (3)CAS

Specification

98%

References
  1. (1) Bianchini, Claudio; Organometallics 2007, V26(20), P5066-5078 CAPLUS
  2. (2) Matulenko, Mark A.; Bioorganic & Medicinal Chemistry 2005, V13(11), P3705-3720 CAPLUS
  3. (3) Abarca, Belen; Tetrahedron 2008, V64(17), P3794-3801 CAPLUS
  4. (4) Reck, Folkert; Journal of Medicinal Chemistry 2007, V50(20), P4868-4881 CAPLUS
  5. (5) Jo, Yeong Woo; Bioorganic & Medicinal Chemistry 2004, V12(22), P5909-5915 CAPLUS
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