928-90-5 Purity
97%
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Specification
The molecular formula is C8H5Br.
The molecular weight is 181.03 g/mol.
The IUPAC name is 2-bromoethynylbenzene.
The InChI is InChI=1S/C8H5Br/c9-7-6-8-4-2-1-3-5-8/h1-5H.
The InChIKey is BPVHWNVBBDHIQU-UHFFFAOYSA-N.
The CAS number is 932-87-6.
The EC number is 686-024-8.
The DSSTox Substance ID is DTXSID50239328.
The XLogP3 value is 3.6.
Yes, (Bromoethynyl)benzene is canonicalized.
Reference: [1] Journal of Organic Chemistry, 2017, vol. 82, # 10, p. 5481 - 5486
Reference: [1] Advanced Synthesis and Catalysis, 2017, vol. 359, # 7, p. 1208 - 1212
Reference: [1] Organic Letters, 2013, vol. 15, # 11, p. 2672 - 2675
[2] Organic Letters, 2017, vol. 19, # 10, p. 2506 - 2509
Reference: [1]Annales de Chimie (Cachan, France),1957,vol. <13> 2,p. 819,861, 862
Reference: [1]Chemische Berichte,1970,vol. 103,p. 1250 - 1261
Reference: [1]Tetrahedron Letters,1975,p. 981 - 984
* For details of the synthesis route, please refer to the original source to ensure accuracy.