35661-51-9 Purity
99%
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Specification
The molecular formula is C6H2BrF3.
The molecular weight is 210.98 g/mol.
The IUPAC Name is 5-bromo-1,2,3-trifluorobenzene.
The InChI is InChI=1S/C6H2BrF3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H.
The InChIKey is HKJCELUUIFFSIN-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C=C(C(=C1F)F)F)Br.
The CAS number is 138526-69-9.
The EC number is 418-480-9.
The DSSTox Substance ID is DTXSID70346346.
Reference: [1] Tetrahedron, 1995, vol. 51, # 45, p. 12337 - 12350
[2] Tetrahedron, 1998, vol. 54, # 34, p. 10125 - 10152
[3] Tetrahedron Letters, 1995, vol. 36, # 1, p. 167 - 168
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Reference: [1] Synthetic Communications, 2009, vol. 39, # 11, p. 2022 - 2031
Reference: [1]Collection of Czechoslovak Chemical Communications,1992,vol. 57,p. 1335 - 1344
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Reference: [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 6059 - 6069
[2]Canadian Journal of Chemistry,1982,vol. 60,p. 976 - 980
[3]Tetrahedron Letters,1995,vol. 36,p. 4733 - 4736
[4]Chemistry - A European Journal,2008,vol. 14,p. 9516 - 9529
Reference: [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 1100 - 1103
[2]Arzneimittel-Forschung/Drug Research,1999,vol. 49,p. 6 - 12
* For details of the synthesis route, please refer to the original source to ensure accuracy.