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Merck
모든 사진(2)

문서

329045

Sigma-Aldrich

4-Fluoro-3-nitrobenzoic acid

98%

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About This Item

Linear Formula:
FC6H3(NO2)CO2H
CAS Number:
Molecular Weight:
185.11
EC Number:
MDL number:
UNSPSC 코드:
12352100
PubChem Substance ID:
NACRES:
NA.22

분석

98%

형태

solid

mp

123-126 °C (lit.)

solubility

95% ethanol: soluble 50 mg/mL, clear, light yellow

SMILES string

OC(=O)c1ccc(F)c(c1)[N+]([O-])=O

InChI

1S/C7H4FNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)

InChI key

BOJWTAQWPVBIPG-UHFFFAOYSA-N

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애플리케이션

4-Fluoro-3-nitrobenzoic acid was used:
  • as starting reagent in the preparation of novel benzimidazoles having antimycobacterial activity
  • in preparation of series of novel acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitors containing benzimidazole core structure
  • in preparation of bis(heterocyclic) skeletal precursors for the Pictet-Spengler reaction
  • in solid-phase synthesis of trisubstituted [1,3,5]triazino[1,2-a]benzimidazole-2,4(3H,10H)-diones

픽토그램

Exclamation mark

신호어

Warning

유해 및 위험 성명서

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

표적 기관

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

개인 보호 장비

dust mask type N95 (US), Eyeshields, Gloves


시험 성적서(COA)

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문서 라이브러리 방문

Yeong Keng Yoon et al.
European journal of medicinal chemistry, 93, 614-624 (2014-07-06)
A total of 51 novel benzimidazoles were synthesized by a 4-step reaction starting from basic compound 4-fluoro-3-nitrobenzoic acid under relatively mild reaction conditions. The structure of the novel benzimidazoles was confirmed by mass spectra as well as (1)H NMR spectroscopic
Yeong Keng Yoon et al.
Bioorganic chemistry, 49, 33-39 (2013-07-28)
Two series of novel acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitors containing benzimidazole core structure were synthesized by a four-step reaction pathway starting from 4-fluoro-3-nitrobenzoic acid as the basic compound. The structure of the novel benzimidazoles was characterized and confirmed by
J C Wijkmans et al.
Molecular diversity, 3(2), 117-120 (1997-01-01)
4-Fluoro-3-nitrobenzoic acid attached to a solid support was shown to react under mild conditions with a wide range of functionalized phenols to yield, after cleavage, the corresponding biaryl ethers in excellent purity. In a similar fashion, biaryl thioethers could be
Gérard Klein et al.
Journal of combinatorial chemistry, 4(4), 345-351 (2002-07-09)
An efficient method for the solid-phase synthesis of trisubstituted [1,3,5]triazino[1,2-a]benzimidazole-2,4(3H,10H)-diones from resin-bound amino acids is described. N-acylation of the primary amine of a resin-bound amino acid with 4-fluoro-3-nitrobenzoic acid, followed by displacement of the fluoro group and reduction of the
Chih-Hau Chen et al.
Chemistry, an Asian journal, 6(6), 1557-1565 (2011-04-08)
A novel strategy for an unconventional Pictet-Spengler reaction has been developed for the regioselective cyclization of the imidazole ring system at the C2 position. The developed strategy was utilized to develop a diversity-oriented parallel synthesis for bis(heterocyclic) skeletal novel analogs

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