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542-11-0

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542-11-0 Usage

Uses

Organohalide based perovskites have emerged as an important class of material for solar cell applications. Our perovskites precursors are useful for synthesizing mixed cation or anion perovskites needed for the optimization of the band gap, carrier diffusion length and power conversion efficiency of perovskites based solar cells.

Purification Methods

Crystallise the hydrobromide from water or EtOH and dry it at 5mm over P2O5. Also recrystallise it four times from MeOH containing a few drops of conc HBr by addition of pet ether (b 60-70o), then dry it to constant weight over paraffin chips in vacuo [Gutbezahl & Grunwald J Am Chem Soc 75 559 1953]. It precipitates from EtOH solution on addition of Et2O, and the filtered solid is recrystallised from EtOH and dried in vacuo. [Buchanan et al. J Am Chem Soc 108 1537 1986, Beilstein 12 III 232.]

Check Digit Verification of cas no

The CAS Registry Mumber 542-11-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,4 and 2 respectively; the second part has 2 digits, 1 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 542-11:
(5*5)+(4*4)+(3*2)+(2*1)+(1*1)=50
50 % 10 = 0
So 542-11-0 is a valid CAS Registry Number.
InChI:InChI=1/C6H7N.BrH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H

542-11-0Relevant articles and documents

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Snyder,Heckert

, p. 2006,2008 (1952)

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Selective catalytic Hofmann: N -alkylation of poor nucleophilic amines and amides with catalytic amounts of alkyl halides

Xu, Qing,Xie, Huamei,Zhang, Er-Lei,Ma, Xiantao,Chen, Jianhui,Yu, Xiao-Chun,Li, Huan

supporting information, p. 3940 - 3944 (2016/07/21)

Using only catalytic amounts of alkyl halides in the reactions of poor nucleophilic amines/amides and alcohols led to a selective Hofmann N-alkylation reaction catalytic in alkyl halides, providing a practical and efficient method for the practical synthesis of mono- or di-alkylated amines/amides in high selectivities. This new method avoids the use of large amounts of bases, alkyl halides, and solvents, and generates water as the only byproduct. Preliminary mechanistic studies showed that alkyl halides are key intermediates/catalysts regeneratable in the reaction cycle.

Stabilities of complexes of Br- with substituted benzenes (SB) based on determinations of the gas-phase equilibria Br- + SB = (BrSB)-

Paul, Gary J. C.,Kebarle, Paul

, p. 1148 - 1154 (2007/10/02)

Equilibria involving some forty substituted benzenes (SB) and the bromide ion (SB + Br- = SBBr-) in the gas phase were determined with a pulsed electron, high-pressure mass spectrometer (PHPMS). The resulting -ΔG°1 provide information on the stabilities of the SBBr- complexes. Previous work, involving gas-phase thermochemical data for. X- (CH3O-, F-, C1-, Br-, I-) and quantum chemical calculations, indicate that the most stable SB·X- complexes might have a variety of structures, depending on X- and the nature of the substituents. Thus X- may engage in hydrogen bonding to an aromatic hydrogen atom, or lead to a σ-bonded (Meisenheimer) complex, or form a complex where X- is on an axis perpendicular to the benzene plane. A Taft substituent analysis of the δΔG°1 indicates that Br- and Cl- form aromatic C-H hydrogen-bonded complexes with all singly substituted benzenes. The field effects of the substituents provide the dominant contribution to the bonding in these complexes. Similar conclusions are reached also for the singly substituted nitrobenzenes and Br-. A clearcut analysis of the bonding to Br- when triply substituted benzenes with strongly electron withdrawing substituents like CF3, CN, and NO2 are present could not be obtained. In these cases all three bonding structures mentioned above may have similar stabilities.

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