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4-Bromo-3-methoxybenzotrifluoride is an organic chemical compound with the molecular formula C7H4BrF3O. It is a colorless to pale yellow crystalline solid that is soluble in organic solvents. 4-BROMO-3-METHOXYBENZOTRIFLUORIDE is a derivative of benzotrifluoride, featuring a bromine atom at the 4-position and a methoxy group at the 3-position. It is primarily used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. Due to its reactivity and functional groups, 4-bromo-3-methoxybenzotrifluoride can undergo a range of chemical reactions, such as nucleophilic substitution, electrophilic aromatic substitution, and cross-coupling reactions, making it a valuable building block in organic synthesis.

402-07-3

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402-07-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 402-07-3 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, 0 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 402-07:
(5*4)+(4*0)+(3*2)+(2*0)+(1*7)=33
33 % 10 = 3
So 402-07-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H6BrF3O/c1-13-7-4-5(8(10,11)12)2-3-6(7)9/h2-4H,1H3

402-07-3 Well-known Company Product Price

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  • Alfa Aesar

  • (H61599)  2-Bromo-5-(trifluoromethyl)anisole, 98%   

  • 402-07-3

  • 250mg

  • 243.0CNY

  • Detail
  • Alfa Aesar

  • (H61599)  2-Bromo-5-(trifluoromethyl)anisole, 98%   

  • 402-07-3

  • 1g

  • 729.0CNY

  • Detail
  • Alfa Aesar

  • (H61599)  2-Bromo-5-(trifluoromethyl)anisole, 98%   

  • 402-07-3

  • 5g

  • 2918.0CNY

  • Detail

402-07-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Bromo-3-Methoxybenzotrifluoride

1.2 Other means of identification

Product number -
Other names 1-bromo-2-methoxy-4-(trifluoromethyl)benzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:402-07-3 SDS

402-07-3Relevant academic research and scientific papers

Strong Short-Range Cooperativity in Hydrogen-Bond Chains

Dominelli-Whiteley, Nicholas,Brown, James J.,Muchowska, Kamila B.,Mati, Ioulia K.,Adam, Catherine,Hubbard, Thomas A.,Elmi, Alex,Brown, Alisdair J.,Bell, Ian A. W.,Cockroft, Scott L.

supporting information, p. 7658 - 7662 (2017/06/13)

Chains of hydrogen bonds such as those found in water and proteins are often presumed to be more stable than the sum of the individual H bonds. However, the energetics of cooperativity are complicated by solvent effects and the dynamics of intermolecular interactions, meaning that information on cooperativity typically is derived from theory or indirect structural data. Herein, we present direct measurements of energetic cooperativity in an experimental system in which the geometry and the number of H bonds in a chain were systematically controlled. Strikingly, we found that adding a second H-bond donor to form a chain can almost double the strength of the terminal H bond, while further extensions have little effect. The experimental observations add weight to computations which have suggested that strong, but short-range cooperative effects may occur in H-bond chains.

Electronic influences in phosphinesulfonato palladium(II) polymerization catalysts

Wucher, Philipp,Goldbach, Verena,Mecking, Stefan

supporting information, p. 4516 - 4522 (2013/09/23)

To study the influence of electronics on catalytic polymerization properties independent from sterics, phosphinesulfonato Pd(II) complexes bearing remotely located substituents on the nonchelating P-bound aryls [κ2-(P,O)-(4-R-2-anisyl)2PC6H 4SO2O]Pd(Me)(dmso) (1a-e-dmso: 1a, R = CF3; 1b, R = Cl; 1c, R = H; 1d, R = CH3; 1e, R = OCH3) were prepared. The electron-poor complex 1a-dmso (4-CF3) undergoes the fastest insertion of methyl acrylate (MA) and is the most active for ethylene polymerization. The polyethylene molecular weight increases by a factor of 2 for the more electron rich complex 1e-dmso (4-OCH3) (Mn = 17 × 103 vs 8 × 103 for 1a-dmso (4-CF 3)). MA/ethylene copolymerization experiments revealed that the MA incorporation ratio and copolymer molecular weights are largely independent of the electronic nature of the remote substituents. These trends were further confirmed by studies of two mixed P-aryl/-alkyl complexes 1f-dmso ([κ2-(2,4,6-(OMe)3C6H2)( tBu)PC6H4SO2O]Pd(Me)(dmso)) and 1g-dmso ([κ2-(C6H5)(tBu) PC6H4SO2O]Pd(Me)(dmso)). In ethylene/MA copolymerization, 1f-dmso affords a significantly higher molecular weight polymer with reasonable MA incorporation (Mn = 12 × 10 3 and 7.7 mol % MA) and activities similar to those observed for complexes 1a-e-dmso.

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