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About This Item
线性分子式:
F2C6H3CN
CAS号:
分子量:
139.10
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22
推荐产品
化驗
99%
形狀
solid
mp
84-86 °C (lit.)
官能基
fluoro
nitrile
SMILES 字串
Fc1cc(F)cc(c1)C#N
InChI
1S/C7H3F2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChI 密鑰
CQXZSEXZQVKCHW-UHFFFAOYSA-N
一般說明
The vibrational wavenumbers, geometry and various thermodynamic parameters were studied for 3,5-difluorobenzonitrile.
訊號詞
Warning
危險分類
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
標靶器官
Respiratory system
儲存類別代碼
11 - Combustible Solids
水污染物質分類(WGK)
WGK 3
閃點(°F)
Not applicable
閃點(°C)
Not applicable
個人防護裝備
dust mask type N95 (US), Eyeshields, Gloves
V K Rastogi et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 58(9), 1987-2004 (2002-08-08)
Geometry, vibrational wavenumbers and several thermodynamic parameters were calculated using ab initio quantum chemical methods for the 3,5-difluorobenzonitrile molecule. The results were compared with the experimental values. With the help of three specific scaling procedures, the observed vibrational wavenumbers in
Mounggon Kim et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 25(7), 1829-1834 (2018-11-27)
Molecular design principles of thermally activated delayed fluorescent (TADF) emitters having a high quantum efficiency and a color tuning capability was investigated by synthesizing three TADF emitters with donors at different positions of a benzonitrile acceptor. The position rendering a
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