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Cas Database

2631-72-3

2631-72-3

Identification

  • Product Name:Ethanone,2-bromo-1-(2,4-dichlorophenyl)-

  • CAS Number: 2631-72-3

  • EINECS:220-116-7

  • Molecular Weight:267.937

  • Molecular Formula: C8H5 Br Cl2 O

  • HS Code:29147000

  • Mol File:2631-72-3.mol

Synonyms:Acetophenone,2-bromo-2',4'-dichloro- (7CI); 2,4-Dichlorophenacyl bromide; 2,4-Dichlorophenylbromomethyl ketone; 2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one;2-Bromo-1-(2,4-dichlorophenyl)ethanone; 2-Bromo-2',4'-dichloroacetophenone;2',4'-Dichloro-2-bromoacetophenone; a-Bromo-2,4-dichloroacetophenone; w-Bromo-2,4-dichloroacetophenone

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Safety information and MSDS view more

  • Pictogram(s):

  • Hazard Codes:Xi,C

  • Signal Word:Danger

  • Hazard Statement:H301 Toxic if swallowedH315 Causes skin irritation H318 Causes serious eye damage H335 May cause respiratory irritation

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

  • Fire-fighting measures: Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

Supplier and reference price

  • Manufacture/Brand
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  • Manufacture/Brand:TRC
  • Product Description:2-Bromo-2'',4''-dichloroacetophenone
  • Packaging:100g
  • Price:$ 795
  • Delivery:In stock
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  • Manufacture/Brand:TCI Chemical
  • Product Description:2,4-Dichlorophenacyl Bromide >98.0%(GC)
  • Packaging:5g
  • Price:$ 88
  • Delivery:In stock
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:2,4-Dichlorophenacyl bromide 97%
  • Packaging:100 g
  • Price:$ 605
  • Delivery:In stock
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:2,4-Dichlorophenacyl bromide 97%
  • Packaging:5 g
  • Price:$ 55
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:2,4-Dichlorophenacyl bromide 97%
  • Packaging:25 g
  • Price:$ 192
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:2-Bromo-2′,4′-dichloroacetophenone 97%
  • Packaging:5g
  • Price:$ 295
  • Delivery:In stock
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:2-Bromo-2′,4′-dichloroacetophenone 97%
  • Packaging:1g
  • Price:$ 83.6
  • Delivery:In stock
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  • Manufacture/Brand:Medical Isotopes, Inc.
  • Product Description:2-Bromo-2??,4??-dichloroacetophenone
  • Packaging:25 g
  • Price:$ 750
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  • Manufacture/Brand:Frontier Specialty Chemicals
  • Product Description:2-Bromo-2',4'-dichloroacetophenone 97%
  • Packaging:25g
  • Price:$ 376
  • Delivery:In stock
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  • Manufacture/Brand:Frontier Specialty Chemicals
  • Product Description:2-Bromo-2',4'-dichloroacetophenone 97%
  • Packaging:5g
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Relevant articles and documentsAll total 57 Articles be found

Discovery and high-throughput screening of heteroleptic iridium complexes for photoinduced hydrogen production

Goldsmith, Jonas I.,Hudson, William R.,Lowry, Michael S.,Anderson, Timothy H.,Bernhard, Stefan

, p. 7502 - 7510 (2005)

The catalytic process of photoinduced hydrogen generation via the reduction of water has been investigated. The use of parallel synthetic techniques has facilitated the synthesis of a 32 member library of heteroleptic iridium complexes that was screened, using high-throughput photophysical techniques, to identify six potential photosensitizers for use in catalytic photoinduced hydrogen production. A Pd/Ni thin film hydrogen selective sensor allowed for rapid quantification of hydrogen produced via illumination of aqueous systems of the photosensitizer, tris(2,2′-dipyridyl)dichlorocobalt ([Co(bpy) 3]Cl2), and triethanolamine (a sacrificial reductant) with ultra-bright light emitting diodes (LEDs). The use of an 8-well parallel photoreactor expedited the investigation of the hydrogen evolution process and facilitated mechanistic studies. All six compounds investigated produced considerably more hydrogen than commonly utilized photosensitizers and had relative quantum efficiencies of hydrogen production up to 37 times greater than that of Ru(bpy)32+.

Synthesis, single crystal X-ray, Hirshfeld surface analysis and characterization of novel 4-(2,4-dichlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazol-2-amine

Gayathri,Dasappa, Jagadeesh Prasad,Bhavya,Chandra,Mahendra

, p. 490 - 498 (2017)

In the present study, the spectroscopic characterization of a novel thiazole scaffold was studied. The formation of title compound 4-(2,4-dichlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazol-2-amine(6) was evidenced through the changes in FTIR, 1H NMR, LCMS Data. The X-ray diffraction studies revealed that compound (6) crystallized in monoclinic crystal system with P21/c Space group with Z = 4. The percentage of intermolecular contacts contributing to the Hirshfeld surface in thiazole crystal was resolved by Hirshfeld surface analyses with 2D fingerprint plots.

BuChE-IDO1 inhibitor as well as preparation method and application thereof

-

Paragraph 0031-0036, (2021/04/26)

The invention relates to the field of medicines, and particularly discloses a BuChE-IDO1 inhibitor as well as a preparation method and application thereof. The 7-chlorine-3-substituted benzothiophene part of sertaconazole is chemically modified, the influence of the 7-chlorine-3-substituted benzothiophene part of sertaconazole on the in-vitro inhibitory activity of AChE, BuChE and IDO1 is explored, the target compound is further optimized, and the technical problems that an existing BuChE-IDO1 inhibitor is poor in pertinence and safety are solved. What is explored is that an appropriate substituent group introduced to a 2-benzothiazole ring can form additional interaction with surrounding amino acids and heme iron, so that the binding affinity of the analogue with BuChE and IDO1 is increased, and a new idea is broadened for more efficient and targeted treatment of advanced AD diseases.

Novel BuChE-IDO1 inhibitors from sertaconazole: Virtual screening, chemical optimization and molecular modeling studies

Zhou, You,Lu, Xin,Du, Chenxi,Liu, Yijun,Wang, Yifan,Hong, Kwon Ho,Chen, Yao,Sun, Haopeng

, (2021/01/07)

In our effort towards the identification of novel BuChE-IDO1 dual-targeted inhibitor for the treatment of Alzheimer's disease (AD), sertaconazole was identified through a combination of structure-based virtual screening followed by MM-GBSA rescoring. Preliminary chemical optimization was performed to develop more potent and selective sertaconazole analogues. In consideration of the selectivity and the inhibitory activity against target proteins, compounds 5c and 5d were selected for the next study. Further modification of compound 5c led to the generation of compound 10g with notably improved selectivity towards BuChE versus AChE. The present study provided us with a good starting point to further design potent and selective BuChE-IDO1 inhibitors, which may benefit the treatment of late stage AD.

Imidazole compound and preparation method and application thereof, organic solderable protective agent containing imidazole compound and surface treatment method

-

Paragraph 0152-0155; 0168-0171, (2020/05/05)

The invention relates to the technical field of precious metal surface treatment, and in particular, relates to the technical field of copper or copper alloy surface protection materials. The invention discloses a dichlorophenyl imidazole compound, an application of the dichlorophenyl imidazole compound serving as a film forming matter of an organic solderable protective agent, and an organic solderable protective agent. The invention also discloses an application of the compound in copper or copper alloy surface anti-oxidation treatment, and a surface treatment method of the copper or copperalloy, wherein the method comprises the following steps: infiltrating the surface of the copper or copper alloy with the organic weldable protective agent containing the compound, and drying to generate a coating layer on the surface.

Antifungal water-soluble compound as well as preparation method and application thereof (by machine translation)

-

Paragraph 0114-0116, (2020/06/02)

The invention provides an antifungal water-soluble compound, a preparation method thereof and application, of the compound as I shown in formula. The compound has good antifungal effect and water solubility, can be used for treating and preventing,configuration optical isomers of the optical isomer SRSS obtained by chiral synthesis. (by machine translation)

Novel thiazole–pyrazolone hybrids as potent ACE inhibitors and their cardioprotective effect on isoproterenol-induced myocardial infarction

You, Hongwen,Su, Xinyou,Su, Guoying

, (2020/08/27)

A facile synthesis of a group of novel thiazole–pyrazolone hybrids and their investigation for angiotensin-converting enzyme (ACE) inhibition are reported in this study. These compounds were synthesized using a well-known approach, based on the condensation of ethyl acetoacetate with thiazolylhydrazines, and characterized by various spectroscopic and analytical techniques. The entire set of compounds displayed a moderate-to-excellent inhibitory activity against ACE. In particular, compound 4i was found to be the most potent ACE inhibitor and was further studied for cardioprotective effects against isoproterenol (ISO)-induced myocardial infarction (MI) in rats. Compound 4i improved the cardiac function and prevented cardiac injury induced by ISO in Sprague Dawley rats. The levels of oxidative stress and proinflammatory cytokines were also restored to near normal by 4i as compared with the ISO group. In the Western blot analysis, compound 4i prevented mitochondrial apoptosis after MI by downregulating the expression of cleaved caspase-3 and Bax, with the upregulation of Bcl-2, as compared with the ISO group.

Process route upstream and downstream products

Process route

1-(2,4-dichlorophenyl)ethan-1-one
2234-16-4

1-(2,4-dichlorophenyl)ethan-1-one

2,2-dibromo-1-(2,4-dichlorophenyl)ethanone
24123-68-0

2,2-dibromo-1-(2,4-dichlorophenyl)ethanone

2,4-dichlorophenacyl bromide
2631-72-3

2,4-dichlorophenacyl bromide

Conditions
Conditions Yield
With trimethylsilyl bromide; potassium nitrate; In dichloromethane; at 20 ℃; for 48h;
72%
1-(2,4-dichlorophenyl)ethan-1-one
2234-16-4

1-(2,4-dichlorophenyl)ethan-1-one

α-bromo-2,4-dibromoacetophenone
60208-07-3

α-bromo-2,4-dibromoacetophenone

2,4-dichlorophenacyl bromide
2631-72-3

2,4-dichlorophenacyl bromide

Conditions
Conditions Yield
With bromine; In acetic acid; at 35 - 40 ℃; for 2h;
bromoacetic anhydride
13094-51-4

bromoacetic anhydride

1,3-Dichlorobenzene
541-73-1

1,3-Dichlorobenzene

2,4-dichlorophenacyl bromide
2631-72-3

2,4-dichlorophenacyl bromide

Conditions
Conditions Yield
bromoacetic anhydride; With aluminum (III) chloride; In dichloromethane; at 25 ℃; for 0.5h;
1,3-Dichlorobenzene; In dichloromethane; for 16h; Reflux;
2-Bromoacetyl bromide
598-21-0

2-Bromoacetyl bromide

1,3-Dichlorobenzene
541-73-1

1,3-Dichlorobenzene

2,4-dichlorophenacyl bromide
2631-72-3

2,4-dichlorophenacyl bromide

Conditions
Conditions Yield
2-Bromoacetyl bromide; With aluminum (III) chloride; In dichloromethane; at 25 ℃; for 0.5h;
1,3-Dichlorobenzene; In dichloromethane; for 16h; Reflux;
diethyl ether
60-29-7,927820-24-4

diethyl ether

water
7732-18-5

water

1-(2,4-dichlorophenyl)ethan-1-one
2234-16-4

1-(2,4-dichlorophenyl)ethan-1-one

2,4-dichlorophenacyl bromide
2631-72-3

2,4-dichlorophenacyl bromide

Conditions
Conditions Yield
With bromine;
1,3-Dichlorobenzene
541-73-1

1,3-Dichlorobenzene

2,4-dichlorophenacyl bromide
2631-72-3

2,4-dichlorophenacyl bromide

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1.1: aluminum (III) chloride / 1,2-dichloro-benzene / 0.33 h
1.2: Cooling with ice
2.1: aluminum (III) chloride; bromine / diethyl ether / Cooling with ice
With aluminum (III) chloride; bromine; In diethyl ether; 1,2-dichloro-benzene;
Multi-step reaction with 2 steps
1: calcium chloride; hydrogenchloride; aluminum (III) chloride / water / 0.83 h
2: aluminum (III) chloride; bromine / diethyl ether / Cooling with ice
With hydrogenchloride; aluminum (III) chloride; bromine; calcium chloride; In diethyl ether; water;
Multi-step reaction with 2 steps
1: 4 h / 60 °C / Ionic liquid; Green chemistry
2: dihydrogen peroxide; sodium carbonate; bromine / dichloromethane / 20 - 40 °C / Green chemistry
With dihydrogen peroxide; bromine; sodium carbonate; In dichloromethane;
2,2-dibromo-1-(2,4-dichlorophenyl)ethanone
24123-68-0

2,2-dibromo-1-(2,4-dichlorophenyl)ethanone

phosphorous acid trimethyl ester
121-45-9

phosphorous acid trimethyl ester

2,4-dichlorophenacyl bromide
2631-72-3

2,4-dichlorophenacyl bromide

O,O-dimethyl-O-<1-(2,4-dichlorophenyl)-2-bromo>vinyl phosphate (isomer Z)
68107-01-7

O,O-dimethyl-O-<1-(2,4-dichlorophenyl)-2-bromo>vinyl phosphate (isomer Z)

Conditions
Conditions Yield
In methanol; for 0.25h; Title compound not separated from byproducts; Heating;
45%
10%
2-bromoacetyl chloride
22118-09-8

2-bromoacetyl chloride

1,3-Dichlorobenzene
541-73-1

1,3-Dichlorobenzene

2,4-dichlorophenacyl bromide
2631-72-3

2,4-dichlorophenacyl bromide

Conditions
Conditions Yield
With aluminum (III) chloride; for 0.666667h; Cooling with ice; Inert atmosphere;
2,4-dichlorophenacyl bromide
2631-72-3

2,4-dichlorophenacyl bromide

Conditions
Conditions Yield
2,4-Dichlor-acetophenon durch Bromieren (ohne Det.);
2,4-Dichloracetophenon, Br2;
2,5-Dichlor-acetophenon, AcOH, Br2-Zutropfen (30-40grad, bis Abfaerbung aufhoert);
2,4-Dichlor-acetophenon, AcOH, Br2-Zutropfen (30-40grad, bis Abfaerbung aufhoert);
With N-Bromosuccinimide; toluene-4-sulfonic acid; In ethyl acetate; at 60 - 80 ℃; for 6h;
1-(2,4-dichlorophenyl)ethan-1-one
2234-16-4

1-(2,4-dichlorophenyl)ethan-1-one

2,4-dichlorophenacyl bromide
2631-72-3

2,4-dichlorophenacyl bromide

Conditions
Conditions Yield
With bromine; In 1,4-dioxane; diethyl ether; for 0.5h; Ambient temperature;
100%
With copper(ll) bromide; In chloroform; ethyl acetate; at 40 ℃; for 2h;
100%
With dihydrogen peroxide; bromine; sodium carbonate; In dichloromethane; at 20 - 40 ℃; Green chemistry;
91.4%
With bromine; In tetrachloromethane;
88%
With N-Bromosuccinimide; toluene-4-sulfonic acid; In acetonitrile; Reflux; Inert atmosphere; Schlenk technique;
88%
With bromine; In chloroform; at 0 - 20 ℃; for 1.5h;
88%
With sodium percarbonate; dihydrogen peroxide; bromine; In 1,2-dichloro-ethane; at 20 - 45 ℃; Solvent; Reagent/catalyst;
88%
With bromine; In chloroform; at 0 - 20 ℃; for 1h;
88%
With copper(ll) bromide; In dichloromethane; ethyl acetate; for 16h; Heating;
85%
With aluminum (III) chloride; bromine; In diethyl ether; Cooling with ice;
83.36%
With aluminum (III) chloride; bromine; In diethyl ether; Cooling with ice;
83.36%
With bromine; acetic acid; In chloroform; at 0 - 20 ℃; for 2h;
73%
With bromine; In diethyl ether;
63.7%
With bromine; In diethyl ether; dichloromethane; at 20 ℃; for 2h; Inert atmosphere;
60%
With N-Bromosuccinimide; In ethyl acetate; at 40 ℃;
20%
With N-Bromosuccinimide; In ethyl acetate; at 40 ℃;
20%
With bromine; In chloroform; for 0.25h; Ambient temperature;
With bromine; In tetrachloromethane;
With bromine; In 1,4-dioxane; diethyl ether; for 1h;
With bromine; In diethyl ether; chloroform; at 0 - 20 ℃;
With hydrogen bromide; bromine; In acetic acid; at 20 ℃; for 4h;
With bromine; In chloroform; at 20 ℃; for 1h;
With bromine; acetic acid;
With bromine; In acetic acid;
With dimethylbromosulphonium bromide; In dichloromethane; at 20 ℃; for 0.166667h;
With bromine; In chloroform;
With bromine; In tetrachloromethane; at 0 - 20 ℃;
With N-Bromosuccinimide; In PEG-400; at 20 ℃; for 6h;
With bromine; In chloroform; at 20 ℃;
With aluminum (III) chloride; bromine; In diethyl ether; at 0 - 20 ℃;
With copper(ll) bromide; In ethanol; chloroform; ethyl acetate; at 65 ℃; for 0.5h;
With toluene-4-sulfonic acid; N,N'-dibromohydantoin; In methanol; at 30 ℃; for 8h;
With N-Bromosuccinimide; toluene-4-sulfonic acid; In acetonitrile; for 4h; Reflux;
With bromine; In dichloromethane; at 20 ℃;
With bromine; In chloroform;
With bromine; acetic acid;
With N-Bromosuccinimide; toluene-4-sulfonic acid; In water; acetonitrile; Reflux;
With bromine; In 1,4-dioxane; diethyl ether; at 0 ℃; for 2h;
With copper(ll) bromide; In chloroform; for 16h; Reflux;
With N-Bromosuccinimide; toluene-4-sulfonic acid;
With hydrogen bromide; bromine; acetic acid; at 0 - 5 ℃;
With toluene-4-sulfonic acid; In methanol; at 23 ℃;
With bromine; acetic acid; for 4h;
With hydrogen bromide; bromine; In acetic acid; Cooling with ice;
With N-Bromosuccinimide; citric acid; In ethanol; water; for 0.333333h; Reflux;
With N-Bromosuccinimide; In methanol;
1-(2,4-dichlorophenyl)ethan-1-one; With N-Bromosuccinimide; In acetonitrile; at 20 - 25 ℃; for 1h;
With toluene-4-sulfonic acid; In acetonitrile; at 90 ℃; for 5h;
80 g
With bromine; Reflux;
With bromine; In chloroform; at 0 - 20 ℃; for 1h;

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