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Merck
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重要文件

275883

Sigma-Aldrich

3-氯-2-硝基苯甲酸

97%

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About This Item

線性公式:
ClC6H3(NO2)CO2H
CAS號碼:
分子量::
201.56
Beilstein:
2109828
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

化驗

97%

mp

237-239 °C (lit.)

SMILES 字串

OC(=O)c1cccc(Cl)c1[N+]([O-])=O

InChI

1S/C7H4ClNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)

InChI 密鑰

VCHSXYHBMFKRBK-UHFFFAOYSA-N

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一般說明

Hydrogen-bonded structures of isomeric compounds of 3-chloro-2-nitrobenzoic acid with quinoline have been investigated.

應用

3-Chloro-2-nitrobenzoic acid has been used in the preparation of:
  • 2-amino-3-chlorobenzonitrile
  • 3-chloro-2-nitrobenzaldehyde

象形圖

Exclamation mark

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 3

閃點(°F)

Not applicable

閃點(°C)

Not applicable

個人防護裝備

dust mask type N95 (US), Eyeshields, Gloves


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Tadashi Kataoka et al.
Bioorganic & medicinal chemistry, 12(9), 2397-2407 (2004-04-15)
Condensation of nitrobenzaldehydes 3 and alpha-[o-(p-methoxybenzylthio)benzoyl] sulfoxide 4 gave alpha-sulfinyl enones 5. Treatment of 5 with formic acid caused cyclization followed by debenzylation to afford 3-(methylsulfinyl)thioflavanones 6. Double-bond formation with elimination of methanesulfenic acid was performed by refluxing 6 in
Kazuma Gotoh et al.
Acta crystallographica. Section C, Crystal structure communications, 65(Pt 10), o534-o538 (2009-10-07)
The structures of four isomeric compounds, all C7H4ClNO4.C9H7N, of quinoline with chloro- and nitro-substituted benzoic acid, namely, 2-chloro-5-nitrobenzoic acid-quinoline (1/1), (I), 3-chloro-2-nitrobenzoic acid-quinoline (1/1), (II), 4-chloro-2-nitrobenzoic acid-quinoline (1/1), (III), and 5-chloro-2-nitrobenzoic acid-quinoline (1/1), (IV), have been determined at 185 K.
The synthesis and in vitro acetylcholinesterase and butyrylcholinesterase inhibitory activity of tacrine (Cognex?) derivaties.
Gregor VE, et al.
Bioorganic & Medicinal Chemistry Letters, 2(8), 861-864 (1992)

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