196681
4-(三氟甲基)苯甲腈
99%
别名:
α,α,α-三氟对甲基苯甲腈
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关于此项目
线性分子式:
CF3C6H4CN
化学文摘社编号:
分子量:
171.12
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
207-239-1
MDL number:
产品名称
4-(三氟甲基)苯甲腈, 99%
InChI key
DRNJIKRLQJRKMM-UHFFFAOYSA-N
InChI
1S/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H
SMILES string
FC(F)(F)c1ccc(cc1)C#N
assay
99%
form
solid
refractive index
n20/D 1.4583 (lit.)
bp
80-81 °C/20 mmHg (lit.)
mp
39-41 °C (lit.)
density
1.278 g/mL at 25 °C (lit.)
functional group
fluoro
nitrile
Quality Level
General description
4-（三氟甲基）苯甲腈是合成氟伏沙明的关键中间体 。参与了镍催化的 4-辛炔芳腈化反应 。
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Sol. 1
存储类别
4.1B - Flammable solid hazardous materials
wgk
WGK 3
flash_point_f
161.6 °F - closed cup
flash_point_c
72 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
Yasuhiro Hirata et al.
Journal of the American Chemical Society, 131(31), 10964-10973 (2009-09-03)
Allyl cyanides are found to add across alkynes in the presence of a nickel/P(4-CF(3)-C(6)H(4))(3) catalyst to give polysubstituted 2,5-hexadienenitriles with defined stereo- and regiochemistry. Use of AlMe(2)Cl or AlMe(3) as a Lewis acid cocatalyst accelerates the reaction and expands the
Improving palladium-catalyzed cyanation of aryl halides: development of a state-of-the-art methodology using potassium hexacyanoferrate (II) as cyanating agent.
Schareina T, et al.
Journal of Organometallic Chemistry, 689(24), 4576-4583 (2004)
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