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2-Bromo-1-(4-chloro-3-methylphenyl)ethan-1-one, with the molecular formula C9H9BrOCl, is an organic compound belonging to the class of aryl alkyl ketones. It is recognized for its diverse biological activities, such as antifungal, antibacterial, and antiparasitic properties, and is commonly utilized as a building block in the synthesis of pharmaceuticals and agrochemicals.

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  • 205178-80-9 Structure
  • Basic information

    1. Product Name: 2-BROMO-1-(4-CHLORO-3-METHYLPHENYL)ETHAN-1-ONE
    2. Synonyms: 4-CHLORO-3-METHYLPHENACYL BROMIDE;2-BROMO-1-(4-CHLORO-3-METHYLPHENYL)ETHAN-1-ONE;2-Bromo-1-(4-chloro-3-methylphenyl)ethanone;2-Bromo-4'-chloro-3'-methylacetophenone;2-Bromo-1-(4-chloro-3-methylphenyl)ethan-1-one, 2-Bromo-4'chloro-3'-methylacetophenone;2-Bromo-1-(4-chloro-methylphenyl)ethanon
    3. CAS NO:205178-80-9
    4. Molecular Formula: C9H8BrClO
    5. Molecular Weight: 247.52
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 205178-80-9.mol
  • Chemical Properties

    1. Melting Point: 56 °C
    2. Boiling Point: 312.329 °C at 760 mmHg
    3. Flash Point: 142.692 °C
    4. Appearance: /
    5. Density: 1.524±0.06 g/cm3 (20 ºC 760 Torr)
    6. Vapor Pressure: 0.001mmHg at 25°C
    7. Refractive Index: 1.576
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-BROMO-1-(4-CHLORO-3-METHYLPHENYL)ETHAN-1-ONE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-BROMO-1-(4-CHLORO-3-METHYLPHENYL)ETHAN-1-ONE(205178-80-9)
    12. EPA Substance Registry System: 2-BROMO-1-(4-CHLORO-3-METHYLPHENYL)ETHAN-1-ONE(205178-80-9)
  • Safety Data

    1. Hazard Codes: C
    2. Statements: 36/37/38-34
    3. Safety Statements: 26-36/37/39-45
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 205178-80-9(Hazardous Substances Data)

205178-80-9 Usage

Uses

Used in Pharmaceutical Industry:
2-Bromo-1-(4-chloro-3-methylphenyl)ethan-1-one is used as a building block for the synthesis of various pharmaceuticals due to its diverse biological activities, including antifungal, antibacterial, and antiparasitic properties. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical industry, 2-Bromo-1-(4-chloro-3-methylphenyl)ethan-1-one is used as an intermediate in the production of various agrochemicals. Its biological activities make it a valuable component in the development of pesticides and other agricultural chemicals to protect crops and enhance yield.
It is crucial to handle 2-Bromo-1-(4-chloro-3-methylphenyl)ethan-1-one with care, as it can pose health and environmental risks if not properly managed.

Check Digit Verification of cas no

The CAS Registry Mumber 205178-80-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,0,5,1,7 and 8 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 205178-80:
(8*2)+(7*0)+(6*5)+(5*1)+(4*7)+(3*8)+(2*8)+(1*0)=119
119 % 10 = 9
So 205178-80-9 is a valid CAS Registry Number.
InChI:InChI=1/C9H8BrClO/c1-6-4-7(9(12)5-10)2-3-8(6)11/h2-4H,5H2,1H3

205178-80-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-bromo-1-(4-chloro-3-methylphenyl)ethanone

1.2 Other means of identification

Product number -
Other names 2-Brom-1-(4-chlor-3-methyl-phenyl)-aethanon

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:205178-80-9 SDS

205178-80-9Downstream Products

205178-80-9Relevant articles and documents

New pyridazinone-4-carboxamides as new cannabinoid receptor type-2 inverse agonists: Synthesis, pharmacological data and molecular docking

Ragusa, Giulio,Gómez-Ca?as, María,Morales, Paula,Rodríguez-Cueto, Carmen,Pazos, María R.,Asproni, Battistina,Cichero, Elena,Fossa, Paola,Pinna, Gerard A.,Jagerovic, Nadine,Fernández-Ruiz, Javier,Murineddu, Gabriele

, p. 398 - 412 (2017)

In the last few years, cannabinoid type-2 receptor (CB2R) selective ligands have shown a great potential as novel therapeutic drugs in several diseases. With the aim of discovering new selective cannabinoid ligands, a series of pyridazinone-4-c

Synthesis, Pharmacological Evaluation, and Docking Studies of Novel Pyridazinone-Based Cannabinoid Receptor Type 2 Ligands

Ragusa, Giulio,Bencivenni, Serena,Morales, Paula,Callaway, Tyra,Hurst, Dow P.,Asproni, Battistina,Merighi, Stefania,Loriga, Giovanni,Pinna, Gerard A.,Reggio, Patricia H.,Gessi, Stefania,Murineddu, Gabriele

supporting information, p. 1102 - 1114 (2018/04/30)

In recent years, cannabinoid type 2 receptors (CB2R) have emerged as promising therapeutic targets in a wide variety of diseases. Selective ligands of CB2R are devoid of the psychoactive effects typically observed for CB1R ligands. Based on our recent studies on a class of pyridazinone 4-carboxamides, further structural modifications of the pyridazinone core were made to better investigate the structure–activity relationships for this promising scaffold with the aim to develop potent CB2R ligands. In binding assays, two of the new synthesized compounds [6-(3,4-dichlorophenyl)-2-(4-fluorobenzyl)-cis-N-(4-methylcyclohexyl)-3-oxo-2,3-dihydropyridazine-4-carboxamide (2) and 6-(4-chloro-3-methylphenyl)-cis-N-(4-methylcyclohexyl)-3-oxo-2-pentyl-2,3-dihydropyridazine-4-carboxamide (22)] showed high CB2R affinity, with Ki values of 2.1 and 1.6 nm, respectively. In addition, functional assays of these compounds and other new active related derivatives revealed their pharmacological profiles as CB2R inverse agonists. Compound 22 displayed the highest CB2R selectivity and potency, presenting a favorable in silico pharmacokinetic profile. Furthermore, a molecular modeling study revealed how 22 produces inverse agonism through blocking the movement of the toggle-switch residue, W6.48.

NOVEL ARYL-CYANOGUANIDINE COMPOUNDS

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Page/Page column 55, (2016/07/05)

The present invention relates to protein-lysine N-methyltransferase SMYD2 (SET and MYND domain-containing protein 2) inhibitors, in particular SMYD2-inhibitory substituted cyanoguanidine-pyrazolines of general formula (I) wherein R1, R2/s

NOVEL ARYL-CYANOGUANIDINE COMPOUNDS

-

Page/Page column 47-48, (2016/10/31)

The present invention relates to protein-lysine N-methyltransferase SMYD2 (SET and MYND domain-containing protein 2) inhibitors, in particular SMYD2-inhibitory substituted cyanoguanidine- pyrazolines of general formula (I), wherein R1, R2, R3, R4 and R5 have the meaning as described and defined herein, as well as to pharmaceutical compositions comprising compounds according to the invention and to their prophylactic and therapeutic use for hyperproliferative disorders, in particular for cancer, respectively tumour disorders. The present invention furthermore relates to the use of SMYD2 inhibitors for benign hyperplasias, atherosclerotic disorders, sepsis, autoimmune disorders, vascular disorders, viral infections, neurodegenerative disorders, inflammatory disorders, atherosclerotic disorders and the control of male fertility.

3-O-Substituted benzyl pyridazinone derivatives as COX inhibitors

Chintakunta, Vamsee Krishna,Akella, Venkateswarlu,Vedula, Manohar Sharma,Mamnoor, Prem Kumar,Mishra, Parimal,Casturi, Seshagiri Rao,Vangoori, Akhila,Rajagopalan, Ramanujam

, p. 339 - 347 (2007/10/03)

New 3-O-substituted benzyl pyridazinone compounds have been synthesised and evaluated for their cyclooxygenase inhibitory activity and COX-2 selectivity. Among the compounds synthesised, three compounds (11b-11d) have shown in vitro COX-2 selectivity. These compounds have been evaluated for their in vivo potential using carrageenan-induced rat paw edema assay. One compound (11b) showed 32% anti-inflammatory activity at 30 mg kg-1 dose.

Pyrrole derivatives and medicinal composition

-

, (2008/06/13)

The invention relates to a pharmaceutical composition comprising a pyrrole derivative of the following formula [1] or a pharmaceutically acceptable salt thereof, or a solvate of either of them, as an active ingredient. STR1 (wherein R1 represents hydrogen or alkoxycar91 bonylamino, R2 represents alkyl, aryl which may be substituted, aromatic heterocyclyl which may be substituted, unsubstituted amino, monoalkylamino, dialkylamino, or cyclic amino which may be substituted; R3 represents cyano or carbamoyl; R4 represents hydrogen or alkyl; E represents alkylene; q is equal to 0 or 1, A represents methyl, aryl which may be substituted, or aromatic heterocyclyl which may be substituted). The pharmaceutical composition of the invention is effective for the treatment of pollakiuria or urinary incontinence.

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