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1-(Bromophenylmethyl)-4-chlorobenzene, with the molecular formula C13H10BrCl, is a colorless solid chemical compound. It has a molecular weight of 261.57 g/mol and is utilized as a building block in the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals. 1-(Bromophenylmethyl)-4-chlorobenzene is also employed as a reagent in chemical reactions and serves as a starting material for the synthesis of other organic compounds. Due to its toxicity, it requires careful handling and safety measures to prevent harm from ingestion or inhalation.

948-54-9

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948-54-9 Usage

Uses

Used in Organic Synthesis:
1-(Bromophenylmethyl)-4-chlorobenzene is used as a building block for the preparation of various pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure allows it to be a versatile component in the creation of complex organic molecules.
Used in Research:
In the field of research, 1-(Bromophenylmethyl)-4-chlorobenzene is utilized as a reagent in chemical reactions, aiding in the investigation of reaction mechanisms and the development of new synthetic pathways.
Used in Chemical Reactions:
As a reagent, 1-(Bromophenylmethyl)-4-chlorobenzene is employed in various chemical reactions to facilitate the formation of desired products, contributing to the advancement of organic chemistry.
Used as a Starting Material:
1-(Bromophenylmethyl)-4-chlorobenzene also serves as a starting material for the synthesis of other organic compounds, providing a foundation for further chemical modifications and the creation of new molecules with specific properties and applications.
Safety Precautions:
Due to its toxic nature, 1-(Bromophenylmethyl)-4-chlorobenzene requires proper handling and safety measures. It can be harmful if ingested or inhaled, necessitating the use of personal protective equipment and adherence to safety protocols when working with 1-(Bromophenylmethyl)-4-chlorobenzene.

Check Digit Verification of cas no

The CAS Registry Mumber 948-54-9 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 9,4 and 8 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 948-54:
(5*9)+(4*4)+(3*8)+(2*5)+(1*4)=99
99 % 10 = 9
So 948-54-9 is a valid CAS Registry Number.
InChI:InChI=1/C13H10BrCl/c14-13(10-4-2-1-3-5-10)11-6-8-12(15)9-7-11/h1-9,13H

948-54-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-[bromo(phenyl)methyl]-4-chlorobenzene

1.2 Other means of identification

Product number -
Other names QC-4425

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:948-54-9 SDS

948-54-9Relevant academic research and scientific papers

An efficient and selective method for the iodination and bromination of alcohols under mild conditions

Khazdooz, Leila,Zarei, Amin,Aghaei, Hamidreza,Azizi, Ghobad,Gheisari, Mohammad Mehdi

, p. 168 - 171 (2015/12/30)

A straightforward and effective procedure for the conversion of a variety of alcohols into the corresponding alkyl iodides and bromides is described using KX/P2O5 (X = I, Br). The reactions were easily carried out in acetonitrile under mild conditions. Using this method, the selective conversion of benzylic alcohols in the presence of aliphatic alcohols was achieved.

Synthesis and anticonvulsant activity of some cinnamylpiperazine derivatives

Hu, Chuan,Sun, Zhi-Gang,Wei, Cheng-Xi,Quan, Zhe-Shan

, p. 661 - 664 (2011/11/29)

A series of cinnamylpiperazine derivatives was synthesized using different benzophenone as starting material. The structures of the compounds were proved by their IR, 1H-NMR spectroscopic data and mass spectra data. The anticonvulsant activities of these compounds were evaluated with maximal electroshock (MES) test and rotarod test with intraperitoneal injection on KunMing mice. Among all the flunarizine analogues, no one exhibited better anticonvulsant activity than flunarizine. Flunarizine (4i) exhibited anticonvulsant activity with ED50 of 38.1 mg/kg, TD50 of 164.3 mg/kg and PI of 4.3 through administration intraperitoneal, and with ED50 of 56.8 mg/kg, TD50 of 456.3 mg/kg and PI of 8.0 through oral administration.

Kinetics of the solvolyses of benzhydryl derivatives: Basis for the construction of a comprehensive nucleofugality scale

Denegri, Bernard,Streiter, Andre,Juric, Sandra,Ofial, Armin R.,Kronja, Olga,Mayr, Herbert

, p. 1648 - 1656 (2007/10/03)

A series of 21 benzhydrylium ions (diarylmethylium ions) are proposed as reference electrofuges for the development of a general nucleofugality scale, where nucleofugality refers to a combination of leaving group and solvent. A total of 167 solvolysis rate constants of benzhydrylium tosylates, bromides, chlorides, trifluoroacetates, 3,5-dinitrobenzoates, and 4-nitroben-zoates, two-thirds of which have been determined during this work, were subjected to a least-squares fit according to the correlation equation log k 25°C = Sf(Nf + Ef), where s f and Nf are nucleofuge-specific parameters and E f is an electrofuge-specific parameter. Although nucleofuges and electrofuges characterized in this way cover more than 12 orders of magnitude, a single set of the parameters, namely sf, Nf, and E f, is sufficient to calculate the solvolysis rate constants at 25°C with an accuracy of ± 16%. Because sf ≈ 1 for all nucleofuges, that is, leaving group/ solvent combinations, studied so far, qualitative discussions of nucleofugality can be based on Nf.

Tricyclic compounds, their production and use

-

, (2008/06/13)

A compound of the formula: wherein R1 is H or a substituent; m is 1-3; Ar is an aromatic group which may be substituted; X is a bond or a divalent straight-chain group having 1-6 atoms which may be substituted; Y is —S—, —O—, or —N(R2— (R2 is H or a substituent group), Z is —N= or —C(R3)= (R3 is H or a hydrocarbon group), ring A is a benzene ring; ring B is a 5- to 7-membered ring which may be substituted, or a salt thereof is useful for eliciting a prostaglandin I2 receptor agonistic effect.

Benzylphosphonic acid inhibitors of human prostatic acid phosphatase

Schwender,Beers,Malloy,Cinicola,Wustrow,Demarest,Jordan

, p. 311 - 314 (2007/10/03)

A series of α-substituted benzylphosphonic acids is described as inhibitors of human prostatic acid phosphatase, an enzyme has been used as a model to study aryl phosphatases. The most potent inhibitors in this series are 2-trifluoromethylbenzhydrylphosphonic acid (9 μM), and α-(2-phenylethyl)benzylphosphonic acid (14 μM). The structure-activity studies suggest that bulk tolerance beyond the phosphate binding area limits the steric or hydrophobic contribution to inhibitor potency achieved through α-carbon substitution.

Elimination Reactions of Alkanesulfenyl Derivatives: Effect of Structure on Reactivity in Thioketone-Forming Eliminations of Diarylmethyl Thiosulfonates

Kice, John L.,Weclas, Ludmilla

, p. 32 - 39 (2007/10/02)

The reaction of a group of diarylmethyl arenethiosulfonates, ArAr'CHSSO2Ar'' (2), with (a) two alkoxide ions (i-PrO- and MeO-), (b) a series of secondary and tertiary amines of differing base strength, and (c) phenoxide ion has been examined.For each system both the overall rate of disappearance of 2 and the fraction (αelim) converted to thioketone were determined.Salient results are as follows: (1) The ρ values for thioketone-forming elimination of ArAr'CHSSO2C6H4CH3-p with either isopropoxide (+3.4) or piperidine (+3.5) are large and positive, while theρ value associated with variation of the substituent in Ar'' in the elimination of Ph2CHSSO2Ar'' with i-PrO- is quite modest (+1.3). (2) The Broensted β for the elimination reaction of p-nitrobenzhydryl p-toluenethiosulfonate with the series of amines is close to +1.0. (3) While plots of the elimination rate constant (kelim) vs. for any of the amine-induced elimination in amine-amineH+ buffers are linear, plots of kelim vs. -> for the phenoxide-induced elimination in PhO--PhOH buffers very pronounced downward curvature (Figure 4).These various results can be explained by assuming that the different eliminations proceed by different variants of an ElcB mechanism: for the elimination involving amines and 2 a reversible (ElcB)ion pr mechanism (eq 13) is suggested; in the elimination with phenoxide ion the reaction proceeds by an ordinary (ElcB)reversible mechanism (eq 9, ki>kii); in the elimination involving isopropoxide the mechanism becomes (ElcB)irreversible (eq 9, k-iii).Comparison of selected data on the rates of thioketone-forming eliminations of 2 with amines with data obtained previously (ref 6) on the rates of sulfene-forming eliminations of aralkyl α-disulfones with amines indicates that an arylalkanesulfonyl compound undergoes elimination approximately 300 million times faster than the equivalently substituted arylalkanesulfenyl derivative.

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