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1-(4-CHLOROPHENOXY)-2-PROPANONE, also known as 4-Chlorophenyl 2-propanone, is a chemical compound with the formula C9H9ClO2. It is a pale yellow to light brown liquid with a strong, sweet odor. 1-(4-CHLOROPHENOXY)-2-PROPANONE is commonly used in the synthesis of various pharmaceuticals, including the sedative and anesthetic methaqualone. It is also utilized in the production of pesticides and other organic compounds. However, it is considered a hazardous substance and should be handled with caution due to its potential to cause irritation to the eyes, skin, and respiratory system. Additionally, measures should be taken to prevent its release into the environment to avoid harmful effects on aquatic life.

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  • 18859-35-3 Structure
  • Basic information

    1. Product Name: 1-(4-CHLOROPHENOXY)-2-PROPANONE
    2. Synonyms: 1-(4-CHLOROPHENOXY)-2-PROPANONE;1-(4-chlorophenoxy)acetone
    3. CAS NO:18859-35-3
    4. Molecular Formula: C9H9ClO2
    5. Molecular Weight: 184.62
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 18859-35-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 268.1 °C at 760 mmHg
    3. Flash Point: 114.2 °C
    4. Appearance: /
    5. Density: 1.187 g/cm3
    6. Vapor Pressure: 0.00782mmHg at 25°C
    7. Refractive Index: 1.517
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-(4-CHLOROPHENOXY)-2-PROPANONE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-(4-CHLOROPHENOXY)-2-PROPANONE(18859-35-3)
    12. EPA Substance Registry System: 1-(4-CHLOROPHENOXY)-2-PROPANONE(18859-35-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 18859-35-3(Hazardous Substances Data)

18859-35-3 Usage

Uses

Used in Pharmaceutical Synthesis:
1-(4-CHLOROPHENOXY)-2-PROPANONE is used as an intermediate in the synthesis of various pharmaceuticals for its ability to react with other compounds to form the desired medicinal products.
Used in Pesticide Production:
1-(4-CHLOROPHENOXY)-2-PROPANONE is used as a key component in the production of pesticides, contributing to the development of effective agricultural chemicals to protect crops from pests.
Used in Organic Compounds Synthesis:
1-(4-CHLOROPHENOXY)-2-PROPANONE is used as a building block in the synthesis of other organic compounds, showcasing its versatility in organic chemistry for creating a wide range of products.
Used in Chemical Research:
1-(4-CHLOROPHENOXY)-2-PROPANONE is utilized in chemical research for studying its properties and potential applications, furthering the understanding of its reactivity and behavior in various chemical reactions.

Check Digit Verification of cas no

The CAS Registry Mumber 18859-35-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,8,8,5 and 9 respectively; the second part has 2 digits, 3 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 18859-35:
(7*1)+(6*8)+(5*8)+(4*5)+(3*9)+(2*3)+(1*5)=153
153 % 10 = 3
So 18859-35-3 is a valid CAS Registry Number.
InChI:InChI=1/C9H9ClO2/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5H,6H2,1H3

18859-35-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(4-CHLOROPHENOXY)-2-PROPANONE

1.2 Other means of identification

Product number -
Other names 4-Chlorophenoxyacetylhydrazine

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:18859-35-3 SDS

18859-35-3Relevant articles and documents

Linear Free Energy Correlation Analysis on the Electronic Effects of Rh(II) Carbene O-H Insertion

Qu, Zhaohui,Shi, Weifeng,Wang, Jianbo

, p. 217 - 219 (2004)

The relative rate constants for the Rh(II)-catalyzed insertion of diazoacetone into the O-H bond have been measured through intermolecular competitions. The kinetic data were subjected to Hammett correlation analysis, and mechanistic implication of the results with respect to a stepwise vs a concerted O-H insertion pathway is discussed.

Iridium-catalyzed enantioselective intramolecular hydroarylation of allylic aryl ethers devoid of a directing group on the aryl group

Kusaka, Satoshi,Ohmura, Toshimichi,Suginome, Michinori

supporting information, p. 13542 - 13545 (2021/12/23)

Although intramolecular hydroarylation is an attractive transformation of allylic aryl ethers, it has suffered from narrow substrate scope. We herein describe Ir/(S)-DTBM-SEGPHOS-catalyzed intramolecular hydroarylation of allylic aryl ethers. The reaction

Selective aerobic oxidation of allyl phenyl ether to methyl ketone by palladium–polyoxometalate hybrid catalysts

Hong, Dachao,Kon, Yoshihiro,Shimoyama, Yoshihiro,Tamura, Satoru

, (2020/09/03)

In this study, we report that selective aerobic oxidation of allyl phenyl ethers is attained by a Pd catalyst/polyoxometalate hybrid system to yield corresponding methyl ketones in water-enriched acetonitrile. The Pd(OAc)2/H5PV2Mo10O40 system exhibits higher conversions and yields of corresponding methyl ketone by Wacker-type oxidation of allyl phenyl ether as compared with the conventional PdCl2/CuCl2 system. The higher yields are attributed to the efficient re-oxidation of Pd0 to Pd2+ by H5PV2Mo10O40 using O2 as an oxidant as evidenced by electrochemical measurements. A reduced species of H5PV2Mo10O40 by Pd0 during the catalytic oxidation is revealed by UV–vis spectral measurements. The use of PdCl2 in place of Pd(OAc)2 in combination with [PV2Mo10O40]5? bearing tetraalkylammonium counter cations has also exhibited comparable conversions and product yields in the Wacker-type oxidation of allyl phenyl ethers. Para-substituted allyl phenyl ether derivatives are successfully oxidized in the Pd catalyst/polyoxometalate system to yield corresponding methyl ketones. The initial rate of products of para-substituted methyl ketones depended on the electronic effect of the substituents in which allyl phenyl ethers with electron-donating groups have accelerated the initial rate in the Pd catalyst/polyoxometalate system.

Selective Cross-Dehydrogenative C(sp3)-H Arylation with Arenes

Hao, Hong-Yan,Mao, Yang-Jie,Xu, Zhen-Yuan,Lou, Shao-Jie,Xu, Dan-Qian

supporting information, p. 2396 - 2402 (2020/03/13)

Selective C(sp3)-C(sp2) bond construction is of central interest in chemical synthesis. Despite the success of classic cross-coupling reactions, the cross-dehydrogenative coupling between inert C(sp3)-H and C(sp2)-H bonds represents an attractive alternative toward new C(sp3)-C(sp2) bonds. Herein, we establish a selective inter-and intramolecular C(sp3)-H arylation of alcohols with nondirected arenes that thereby provides a general pathway to access a wide range of β-arylated alcohols, including tetrahydronaphthalen-2-ols and benzopyran-3-ols, with high to excellent chemo-and regioselectivity.

A (different) bright ammonia amide carbamate derivative and application thereof (by machine translation)

-

Paragraph 0036; 0037; 0038; 0043; 0044, (2017/07/14)

The invention belongs to the field of plant, relates to a general formula (I) is shown in a (different) bright ammonia amide carbamate derivatives and their pharmaceutically acceptable salt, wherein substituent R has the definition given in the specification, the invention also relates to the general formula (I) preparation of compounds of the, specifically for the preparation of the intermediate of its development and application of plant disease control. (by machine translation)

Design, synthesis and effect of the introduction of a propargyloxy group on the fungicidal activities of 1-substituted phenoxypropan-2-amino valinamide carbamate derivatives

Li, Jian-Qiang,Wang, Zhi-Peng,Gao, Yang,Zhao, Wei-Guang

, p. 82131 - 82137 (2016/09/09)

The cell walls of oomycetes are composed of cellulose, making cellulose synthase enzymes good targets for carboxylic acid amide fungicides. Valinamide carbamates are amino acid fungicides that represent excellent alternatives to conventional synthetic pesticides in terms of their ability to reduce the negative impacts of these compounds on human health and the environment. In a continuation of our research towards the development of new cellulose synthase inhibitors, we have developed a series of "stretched" analogues of iprovalicarb by the introduction of an additional OCH2 linker. The bioassay results indicated that compounds containing a small group at the para-position of phenyl gave excellent fungicidal activities with EC50 values ranging from 0.59 to 2.06 μmol L-1. Most notably, the introduction of a propargyloxy group led to a pronounced increase in the fungicidal activity. Furthermore, compound 7o bearing a propargyloxy group was identified as the most promising candidate because of its excellent fungicidal potency against oomycete diseases and good fungicidal activity against non-oomycete diseases.

ANTICANCER AGENT COMPRISING AMINOACETONITRILE COMPOUND AS ACTIVE INGREDIENT

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Paragraph 0792, (2016/08/17)

The present invention relates to an anticancer agent having a high safety and a superior anticancer activity, and an anticancer agent containing, as an active ingredient, an aminoacetonitrile compound represented by the formula (I) wherein R1 i

ANTI CANCER AGENT COMPRISING AMINOACETONITRILE COMPOUND AS ACTIVE INGREDIENT

-

Paragraph 0111, (2016/12/12)

The present invention relates to an anticancer agent having a high safety and a superior anticancer activity, and anticancer agent containing, as an active ingredient, an aminoacetonitrile compound represented by the formula (I) wherein R1 is a

ANTIDIABETIC AZAINDOLES AND DIAZAINDOLES

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Page/Page column 70, (2009/03/07)

Azaindoles and diazaindoles having aromatic substituents on the 5-membered ring are agonists or partial agonists of the PPAR receptor and are useful in the treatment and control of type 2 diabetes and of symptoms of diabetes, including hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, and obesity that are often associated with type 2 diabetes.

INDOLES HAVING ANTI-DIABETIC ACTIVITY

-

Page/Page column 30, (2008/06/13)

Indoles of Formula (I) having -X-aryl-(CH2)x#191-oxazolidinedione and -X-heteroaryl-(CH2)X-oxazolidinedione substituents on the N atom of the indole ring, where x is 0 or 1, and -X-is a bond or -CH2-, and their thiazolidinedione analogs, are PPAR gamma agonists or partial agonists and are useful in the treatment and control of type II diabetes, including hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, and obesity that are often associated with type 2 diabetes.

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