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About This Item
经验公式（希尔记法）:
C5BrF4N
CAS号:
分子量:
229.96
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
推荐产品
质量水平
方案
98%
折射率
n20/D 1.464 (lit.)
沸点
134-135 °C (lit.)
密度
1.92 g/mL at 25 °C (lit.)
官能团
bromo
fluoro
SMILES字符串
Fc1nc(F)c(F)c(Br)c1F
InChI
1S/C5BrF4N/c6-1-2(7)4(9)11-5(10)3(1)8
InChI key
YZCGGIUJABHGRQ-UHFFFAOYSA-N
一般描述
4-Bromo-2,3,5,6-tetrafluoropyridine is also referred as 4-bromotetrafluoropyridine. Regioselective nucleophilic substitution and palladium catalyzed Suzuki-Miyaura reactions of 4-bromo-2,3,5,6-tetrafluoropyridine has been reported. Quantum mechanical calculations of energies, geometries and vibrational wave numbers of 4-bromo-2,3,5,6-tetrafluoropyridine have been evaluated by density functional theory.
应用
4-Bromo-2,3,5,6-tetrafluoropyridine was used in the preparation of 2,3,5,6-tetrafluoro-pyridylcadmium or 2,3,5,6-tetrafluoropyridylzinc reagent.
警示用语：
Warning
危险声明
危险分类
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
靶器官
Respiratory system
储存分类代码
10 - Combustible liquids
WGK
WGK 3
闪点(°F)
145.4 °F - closed cup
闪点(°C)
63 °C - closed cup
个人防护装备
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Synthetic utility of 4-bromo-2, 3, 5, 6-tetrafluoropyridine.
Christopher JA, et al.
Journal of Fluorine Chemistry, 129(5), 447-454 (2008)
Preparation and reactions of the 2, 3, 5, 6-tetrafluoropyridylcopper reagent.
Nguyen BV and Burton DJ.
Journal of Fluorine Chemistry, 67(3), 205-206 (1994)
C Selvarani et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 132, 110-120 (2014-05-27)
Quantum mechanical calculations of energies, geometries and vibrational wave numbers of 3-chloro-2,4,5,6-tetrafluoropyridine and 4-bromo-2,3,5,6-tetrafluoropyridine have been performed by DFT level of theory using B3LYP/6-31+G(d) and B3LYP/6-311++G(d,p) as basis sets. The optimized geometrical parameters obtained by B3LYP method show good agreement
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