376582
3-氯-4-氟苯甲腈
99%
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关于此项目
线性分子式:
ClC6H3(F)CN
化学文摘社编号:
分子量:
155.56
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
99%
产品名称
3-氯-4-氟苯甲腈, 99%
InChI
1S/C7H3ClFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H
SMILES string
Fc1ccc(cc1Cl)C#N
InChI key
VAHXXQJJZKBZDX-UHFFFAOYSA-N
assay
99%
mp
69-71 °C (lit.)
functional group
chloro
fluoro
nitrile
Application
3-Chloro-4-fluorobenzonitrile may be used in the preparation of ethyl 5-(2-chloro-4-cyanophenoxy)indoline-1-carboxylate and 3-chloro-4-(indolin-5-yloxy)benzonitrile.
General description
The FTIR and Raman spectra of 3-chloro-4-fluorobenzonitrile by ab initio HF and density functional method has been reported. Reaction of 3-chloro-4-fluorobenzonitrile with potassium fluoride in 1,3-dimethylimidazolidine-2-one (DMI) has been reported.
signalword
Warning
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
法规信息
新产品
此项目有
S Igarashi et al.
Chemical & pharmaceutical bulletin, 48(11), 1689-1697 (2000-11-22)
While searching for novel nonsteroidal inhibitors of human and rat prostatic 5alpha-reductases, we found a new series of indoline and aniline derivatives that showed potent inhibitory activities for both enzymes. Among them, 3-chloro-4-¿[1-(4-phenoxybenzyl)indolin-5-yl]oxylbenzoic acid (2e, YM-36117) showed a more potent
N Sundaraganesan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 71(3), 1134-1139 (2008-05-02)
In this work, the experimental and theoretical spectra of 3-chloro-4-fluoro benzonitrile (3C4FBN) were studied. The Fourier transform infrared and Fourier transform Raman spectra of 3C4FBN were recorded in the solid phase. The optimized geometry was calculated by HF and B3LYP
Synthesis of 3, 4-difluorobenzonitrile and monofluorobenzonitriles by means of halogen-exchange fluorination.
Suzuki H and Kimura Y.
Journal of Fluorine Chemistry, 52(3), 341-351 (1991)
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