2039-86-3 Purity
≥ 97%
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The molecular formula of 2-Amino-5-bromobenzonitrile is C7H5BrN2.
The molecular weight of 2-Amino-5-bromobenzonitrile is 197.03 g/mol.
The IUPAC name of 2-Amino-5-bromobenzonitrile is 2-amino-5-bromobenzonitrile.
The InChI of 2-Amino-5-bromobenzonitrile is InChI=1S/C7H5BrN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2.
The InChIKey of 2-Amino-5-bromobenzonitrile is OATYCBHROMXWJO-UHFFFAOYSA-N.
The canonical SMILES of 2-Amino-5-bromobenzonitrile is C1=CC(=C(C=C1Br)C#N)N.
The CAS number of 2-Amino-5-bromobenzonitrile is 39263-32-6.
The EC number of 2-Amino-5-bromobenzonitrile is 254-387-8.
The molecular weight of 2-Amino-5-bromobenzonitrile calculated by PubChem is 197.03 g/mol.
Yes, 2-Amino-5-bromobenzonitrile is considered a canonicalized compound.
Reference: [1]Location in patent: experimental part
Zysman-Colman, Eli; Arias, Karla; Siegel, Jay S.
[Canadian Journal of Chemistry, 2009, vol. 87, # 2, p. 440 - 447]
Reference: [1] Patent: WO2004/99159, 2004, A1, . Location in patent: Page 34; 58; 68
Reference: [1] Organic Letters, 2009, vol. 11, # 6, p. 1193 - 1196
Reference: [1]Bergman, Jan; Brynolf, Anna; Vuorinen, Eino
[Tetrahedron, 1986, vol. 42, # 13, p. 3689 - 3696]
Reference: [1]Journal of Organic Chemistry,2003,vol. 68,p. 1911 - 1918
* For details of the synthesis route, please refer to the original source to ensure accuracy.