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质量水平
检测方案
99%
形式
solid
mp
84-86 °C (lit.)
SMILES字符串
Fc1cc(F)cc(c1)C#N
InChI
1S/C7H3F2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChI key
CQXZSEXZQVKCHW-UHFFFAOYSA-N
一般描述
The vibrational wavenumbers, geometry and various thermodynamic parameters were studied for 3,5-difluorobenzonitrile.
警示用语：
Warning
危险分类
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
靶器官
Respiratory system
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
个人防护装备
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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