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4-(2-Bromoethyl)benzonitrile, with the molecular formula C9H8BrN, is an organic compound characterized by a benzene ring with a nitrile group and a bromoethyl group at the para position. It is a colorless to pale yellow liquid with a faint odor, sparingly soluble in water, and soluble in organic solvents. 4-(2-Bromoethyl)benzonitrile is recognized for its role as an intermediate in the synthesis of various pharmaceuticals and agrochemicals, and it is considered to have low to moderate toxicity.

72054-56-9

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72054-56-9 Usage

Uses

Used in Pharmaceutical Industry:
4-(2-Bromoethyl)benzonitrile is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
Similarly, in the agrochemical industry, 4-(2-Bromoethyl)benzonitrile serves as an intermediate in the production of agrochemicals. Its properties make it suitable for the creation of compounds that can be used in agricultural applications, such as pesticides or herbicides, to improve crop protection and yield.
Used in Organic Compound Production:
4-(2-Bromoethyl)benzonitrile is also utilized in the production of other organic compounds. Its versatility in chemical reactions enables the synthesis of a range of organic molecules for various applications across different industries, highlighting its importance in organic chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 72054-56-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,2,0,5 and 4 respectively; the second part has 2 digits, 5 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 72054-56:
(7*7)+(6*2)+(5*0)+(4*5)+(3*4)+(2*5)+(1*6)=109
109 % 10 = 9
So 72054-56-9 is a valid CAS Registry Number.
InChI:InChI=1/C9H8BrN/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4H,5-6H2

72054-56-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(2-Bromoethyl)benzonitrile

1.2 Other means of identification

Product number -
Other names (4-cyanophenethyl)bromide

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:72054-56-9 SDS

72054-56-9Relevant academic research and scientific papers

Structure-Activity Relationship Studies Reveal New Astemizole Analogues Active against Plasmodium falciparum in Vitro

Birkholtz, Lyn-Marie,Chibale, Kelly,Coertzen, Dina,Ferger, Richard,Kumar, Malkeet,Mambwe, Dickson,Njoroge, Mathew,Reader, Janette,Taylor, Dale,Van Der Watt, Mari?tte

supporting information, p. 1333 - 1341 (2021/08/24)

In the context of drug repositioning and expanding the existing structure-activity relationship around astemizole (AST), a new series of analogues were designed, synthesized, and evaluated for their antiplasmodium activity. Among 46 analogues tested, compounds 21, 30, and 33 displayed high activities against asexual blood stage parasites (PfNF54 IC50 = 0.025-0.043 μM), whereas amide compound 46 additionally showed activity against late-stage gametocytes (stage IV/V; PfLG IC50 = 0.6 ± 0.1 μM) and 860-fold higher selectivity over hERG (46, SI = 43) compared to AST. Several analogues displaying high solubility (Sol > 100 μM) and low cytoxicity in the Chinese hamster ovary (SI > 148) cell line have also been identified.

2-(BICYCLO-HETEROARYL)-ISONICOTINIC DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS

-

Page/Page column 95, (2018/09/12)

The invention relates to compounds of Formula (I) as described herein, useful as histone demethylase inhibitors. The invention also relates to pharmaceutical compositions comprising these compounds and to their use in therapy, including e.g., in the treatment of cancer.

Discovery of tertiary amine and indole derivatives as potent RORγt inverse agonists

Yang, Ting,Liu, Qian,Cheng, Yaobang,Cai, Wei,Ma, Yingli,Yang, Liuqing,Wu, Qianqian,Orband-Miller, Lisa A.,Zhou, Ling,Xiang, Zhijun,Huxdorf, Melanie,Zhang, Wei,Zhang, Jing,Xiang, Jia-Ning,Leung, Stewart,Qiu, Yang,Zhong, Zhong,Elliott, John D.,Lin, Xichen,Wang, Yonghui

supporting information, p. 65 - 68 (2014/02/14)

A novel series of tertiary amines as retinoid-related orphan receptor gamma-t (RORγt) inverse agonists was discovered through agonist/inverse agonist conversion. The level of RORγt inhibition can be enhanced by modulating the conformational disruption of H12 in RORγt LBD. Linker exploration and rational design led to the discovery of more potent indole-based RORγt inverse agonists.

Dicarboxylic Acid Derivatives and their Use

-

Page/Page column 15, (2010/03/02)

The present application relates to novel dicarboxylic acid derivatives, process for their preparation, their use for the treatment and/or prophylaxis of diseases, and their use for producing medicaments for the treatment and/or prophylaxis of diseases, es

Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases

-

Page/Page column 33, (2009/09/25)

The present application relates to novel heterocyclic compounds, processes for their preparation, their use for the treatment and/or prophylaxis of diseases, and their use for producing medicaments for the treatment and/or prophylaxis of diseases, especia

Tetrazole Derivatives and Their Use for the Treatment of Cardiovascular Diseases

-

Page/Page column 18, (2009/09/07)

The present application relates to novel tetrazole derivatives, processes for their preparation, their use for the treatment and/or prophylaxis of diseases, and their use for producing medicaments for the treatment and/or prophylaxis of diseases, especial

PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS MODULATORS OF MULTIDRUG RESISTANCE

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Page 48, (2010/02/07)

A compound which is a pyrrolopyrimidine of formula (I) wherein: R1 is selected from R9 and halogen; R2 is NR6R7; R3 is selected from H, C1-C6 alkyl which is unsubstituted or substituted and -(CH2) nAr; R4 is selected from H, C1-C6 alkyl and -(CH2)? Ar; or R3 and R4 form, together with the N and C atoms to which they are attached, a fused five-, six-, seven- or eight-membered N-containing saturated ring which is unsubstituted or substituted; R5 is selected from CN, C02R9,C(O)NR10R11, -(CH2)nOH, -(CH2)nR10Rn, -C=CH, -C(S)NR10R11, -C(NH2)=NOR9, -C(R9)=NOR9, -C(NH2)NH, -C(O)R9 and an unsaturated 5- or 6-membered heterocyclic group which contains 1, 2 or 3 heteroatoms selected from N, O and S and which is unsubstituted or substituted; R6 and R7, which are the same or different, are selected from C1-C6 alkyl which is unsubstituted or substituted, -(CH2)nX and -(CH2)nAr; or R6 and R7 form, together with the nitrogen atom to which they are attached, a saturated five-, six-, seven- or eight-membered heterocyclic group which contains one nitrogen atom and 0 or from 1 to 3 additional heteroatoms selected from N, O and S, which is unsubstituted or substituted and which optionally contains one or two bridgehead atoms; R10and R11,which are the same or different, are selected from H, C1-C6 alkyl which is unsubstituted or substituted, -(CH2)nC3-C10 cycloalkyl and -(CH2)nAr; or R10 and R11 form, together with the nitrogen atom to which they are attached, a saturated five or six membered heterocyclic group which contains a nitrogen atom and 0 or from to 3 additional heteroatoms selected from O, S and N, which is unsubstituted or substituted and which is optionally fused to a benzene ring which is unsubstituted or substituted; n is the same or different when more than one is present within a given substituent group and is 0 or an integer of from 1 to 6; X is selected from -CN, -C02R9 and -NR10R11; R9 is the same or different when more than one is present within a given substituent group and is selected from -H, -QAr, -(CH2) nAr, C1-C6 alkyl which is unsubstituted or substituted and -(CH2) nC3-C10cycloalkyl, wherein the cycloalkyl moiety is optionally fused to a benzene ring which is unsubstituted or substituted; Q is C2-C6 alkenylene or alkynylene; and Ar is an unsaturated C6-C10 membered carbocyclic group or an unsaturated 5-11 membered heterocyclic group, which groups are unsubstituted or substituted; or a pharmaceutically acceptable salt thereof. These compounds have activity as inhibitors of MRP (multidrug resistant protein) and may thus be used to modulate multidrug resistance, for instance in potentiating the cytotoxicity of a chemotherapeutic agent.

ORTHO SUBSTITUTED AROMATIC COMPOUNDS USEFUL AS ANTAGONISTS OF THE PAIN ENHANCING EFFECTS OF E-TYPE PROSTAGLANDINS

-

, (2008/06/13)

The invention relates to compounds of the formula (I): STR1 wherein A, B and D are various ring systems such as phenyl, R. sup.1 includes carboxy, R 3 is hydrogen or C 1-4 alkyl and Z is a linking group such as--(CH(R 5)) m--wherein m is 2, 3 or 4, and R 5 includes hydrogen and methyl; and pharmaceutically acceptable salts and in vivo hydrolysable esters or amides thereof, processes for preparing these compounds, pharmaceutical compositions comprising them, and their use in the treatment of pain.

Muscarinic receptor antagonists

-

, (2008/06/13)

Compounds of the formula STR1 and the pharmaceutically acceptable salts thereof, wherein: Y is a direct link, --CH 2 --, --(CH 2) 2 --, --CH 2 O-- or --CH 2 S--; R is --CN or --CONH 2 ; and R 1 is STR2 where X and X 1 are each independently O or CH 2 ; and m is 1, 2 or 3, are muscarinic receptor antagonists useful in the treatment of diseases and conditions associated with the altered motility and/or tone of smooth muscle, such as irritable bowel syndrome.

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