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化驗
97%
形狀
powder
mp
98-100 °C (lit.)
官能基
chloro
nitrile
nitro
SMILES 字串
[O-][N+](=O)c1cc(ccc1Cl)C#N
InChI
1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H
InChI 密鑰
XBLPHYSLHRGMNW-UHFFFAOYSA-N
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一般說明
FT-IR and μ-Raman spectra of 4-chloro-3-nitrobenzonitrile have been recorded in the range of 400-4000cm-1 and 100-4000cm-1, respectively. It has been prepred from the reaction of 4-chloro-3-nitrobenzamide and phosphorus oxychloride. Crystal structure of 4-chloro-3-nitrobenzonitrile has been reported. Molecules of 4-chloro-3-nitrobenzonitrile are linked by weak intermolecular C-H…O and C-H…N hydrogen bonds.
應用
4-Chloro-3-nitrobenzonitrile may be employed for the radiosynthesis of analogs of serotonin transporter (SERT) ligands for use in positron emission tomography (PET) studies and for the preparation of N-(4-cyano-2-nitrophenyl)glycine.
4-Chloro-3-nitrobenzonitrile may be used in the synthesis of 3-nitro-4-thiocyanobenzonitryl.
訊號詞
Warning
危險聲明
危險分類
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 2
閃點（°F）
Not applicable
閃點（°C）
Not applicable
個人防護裝備
dust mask type N95 (US), Eyeshields, Gloves
Galina R Demina et al.
PloS one, 4(12), e8174-e8174 (2009-12-18)
Resuscitation promoting factors (RPF) are secreted proteins involved in reactivation of dormant actinobacteria, including Mycobacterium tuberculosis. They have been considered as prospective targets for the development of new anti-tuberculosis drugs preventing reactivation of dormant tubercle bacilli, generally associated with latent
Bo-Nian Liu et al.
Acta crystallographica. Section E, Structure reports online, 65(Pt 1), o92-o92 (2008-01-01)
In the title compound, C(7)H(3)ClN(2)O(2), the Cl, C and N atoms are coplanar with the aromatic ring. In the crystal structure, weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules. The π-π contact between the benzene rings, [centroid-centroid distances
Yusuf Sert et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 107, 248-255 (2013-02-26)
In the present study, the experimental and theoretical harmonic and anharmonic vibrational frequencies of 4-chloro-3-nitrobenzonitrile were investigated. The experimental FT-IR (400-4000 cm(-1)) and μ-Raman spectra (100-4000 cm(-1)) of the molecule in the solid phase were recorded. Theoretical vibrational frequencies and
S X Cai et al.
Journal of medicinal chemistry, 40(5), 730-738 (1997-02-28)
We report on a series of alkyl- and alkoxy-substituted 1,4-dihydroquinoxaline-2,3-diones (QXs), prepared as a continuation of our structure-activity relationship (SAR) study of QXs as antagonists for the glycine site of the N-methyl-D-aspartate (NMDA) receptor. The in vitro potency of these
A A Wilson et al.
Journal of medicinal chemistry, 43(16), 3103-3110 (2000-08-24)
A series of four 2-(phenylthio)araalkylamines have been radiolabeled with (11)C and evaluated as potential radiotracers for imaging the serotonin transporter (SERT) by positron emission tomography (PET). All four candidates display high affinity for SERT and low affinity for the dopamine
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