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402-67-5

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402-67-5 Usage

Chemical Properties

clear brown liquid

Uses

Different sources of media describe the Uses of 402-67-5 differently. You can refer to the following data:
1. 1-Fluoro-3-nitrobenzene is a di-substitiuted benzene derivative used for the synthesis of fluoroaromatic compounds through fluorodenitration and other pharmaceuticals.
2. 1-Fluoro-3-nitrobenzene was used as an internal standard in the regiospecific silver-mediated fluorination of aryl silanes.

Check Digit Verification of cas no

The CAS Registry Mumber 402-67-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,0 and 2 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 402-67:
(5*4)+(4*0)+(3*2)+(2*6)+(1*7)=45
45 % 10 = 5
So 402-67-5 is a valid CAS Registry Number.
InChI:InChI=1/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H

402-67-5 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • Alfa Aesar

  • (B25553)  1-Fluoro-3-nitrobenzene, 98+%   

  • 402-67-5

  • 25g

  • 621.0CNY

  • Detail
  • Alfa Aesar

  • (B25553)  1-Fluoro-3-nitrobenzene, 98+%   

  • 402-67-5

  • 100g

  • 1988.0CNY

  • Detail
  • Sigma-Aldrich

  • (47160)  1-Fluoro-3-nitrobenzene  purum, ≥97.0% (GC)

  • 402-67-5

  • 47160-50ML

  • 1,794.78CNY

  • Detail
  • Aldrich

  • (128392)  1-Fluoro-3-nitrobenzene  97%

  • 402-67-5

  • 128392-10G

  • 386.10CNY

  • Detail

402-67-5Relevant articles and documents

Low-temperature and highly efficient liquid-phase catalytic nitration of chlorobenzene with NO2: Remarkably improving the para-selectivity in O2-Ac2O-Hβ composite system

Deng, Renjie,Liu, Pingle,Luo, He'an,Ni, Wenjin,You, Kuiyi,Zhao, Fangfang

, (2020/02/26)

In this work, we developed a low-temperature and efficient approach for the highly selective preparation of valuable p-nitrochlorobenzene from the liquid-phase catalytic nitration of chlorobenzene with NO2 in O2-Ac2O-Hβ composite system. The results demonstrated that the introduction of molecular oxygen remarkably enhanced the chlorobenzene conversion and the cooperation catalysis of Hβ zeolite and Ac2O envidently improved the selectivity to para-nitro product. Under the optimized reaction conditions, 93.6 % of the selectivity to p-nitrochlorobenzene with 84.0 % of chlorobenzene conversion was obtained, and the ratio of p-nitrochlorobenzene to o-nitrochlorobenzene could reach up to 20.3. Furthermore, the selectivity distribution of nitration products was reasonably explained by the density functional theory (DFT) calculation. Finally, the possible nitration reaction pathway of chlorobenzene with NO2 was suggested in O2-Ac2O-Hβ composite catalytic system. The present work affords a new and mild nitration approach for highly selective preparation of valuable para-nitro products, and has potential industrial application prospects.

Catalyst and application thereof in synthesis of aromatic fluorine compounds

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Paragraph 0036-0038, (2020/11/10)

The invention belongs to the field of catalyst preparation and application, and particularly relates to a catalyst and application thereof in synthesis of aromatic fluorine compounds. The nickel catalyst is dichloro-bis-(tri-cyclohexylphosphine) nickel, and the molecular formula of the nickel catalyst is Ni (Py3) 2Cl2. The nickel catalyst is applied to catalyzing inorganic fluoride to replace aromatic chloride to synthesize fluoride. The catalyst has the advantages of easily available reagents, simple catalyst synthesis, simple operation conditions, low reaction temperature, high reaction yield and less time consumption.

Transition-State Interactions in a Promiscuous Enzyme: Sulfate and Phosphate Monoester Hydrolysis by Pseudomonas aeruginosa Arylsulfatase

Van Loo, Bert,Berry, Ryan,Boonyuen, Usa,Mohamed, Mark F.,Golicnik, Marko,Hengge, AlVan C.,Hollfelder, Florian

, p. 1363 - 1378 (2019/03/11)

Pseudomonas aeruginosa arylsulfatase (PAS) hydrolyzes sulfate and, promiscuously, phosphate monoesters. Enzyme-catalyzed sulfate transfer is crucial to a wide variety of biological processes, but detailed studies of the mechanistic contributions to its catalysis are lacking. We present linear free energy relationships (LFERs) and kinetic isotope effects (KIEs) of PAS and analyses of active site mutants that suggest a key role for leaving group (LG) stabilization. In LFERs PASWT has a much less negative Br?nsted coefficient (βleaving groupobs-Enz = 0.33) than the uncatalyzed reaction (βleaving groupobs = 1.81). This situation is diminished when cationic active site groups are exchanged for alanine. The considerable degree of bond breaking during the transition state (TS) is evidenced by an 18Obridge KIE of 1.0088. LFER and KIE data for several active site mutants point to leaving group stabilization by active site K375, in cooperation with H211. 15N KIEs and the increased sensitivity to leaving group ability of the sulfatase activity in neat D2O (βleaving groupH-D = +0.06) suggest that the mechanism for S-Obridge bond fission shifts, with decreasing leaving group ability, from charge compensation via Lewis acid interactions toward direct proton donation. 18Ononbridge KIEs indicate that the TS for PAS-catalyzed sulfate monoester hydrolysis has a significantly more associative character compared to the uncatalyzed reaction, while PAS-catalyzed phosphate monoester hydrolysis does not show this shift. This difference in enzyme-catalyzed TSs appears to be the major factor favoring specificity toward sulfate over phosphate esters by this promiscuous hydrolase, since other features are either too similar (uncatalyzed TS) or inherently favor phosphate (charge).

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