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Ethanone, 1-[4-(3-chloropropyl)phenyl]-, commonly known as Clavoacetophenone, is an aromatic ketone belonging to the family of organic compounds. It is characterized by its sweet, floral, and woody odor, making it a popular ingredient in perfumes and flavorings. This versatile chemical also serves as a precursor in the synthesis of pharmaceuticals and other organic compounds. Furthermore, its potential antimicrobial and antifungal properties have garnered interest in the field of medicinal chemistry. However, it is crucial to handle this compound with care due to its potential to cause irritation to the skin, eyes, and respiratory system if not properly managed.

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  • 91427-06-4 Structure
  • Basic information

    1. Product Name: Ethanone, 1-[4-(3-chloropropyl)phenyl]-
    2. Synonyms:
    3. CAS NO:91427-06-4
    4. Molecular Formula: C11H13ClO
    5. Molecular Weight: 196.677
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 91427-06-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Ethanone, 1-[4-(3-chloropropyl)phenyl]-(CAS DataBase Reference)
    10. NIST Chemistry Reference: Ethanone, 1-[4-(3-chloropropyl)phenyl]-(91427-06-4)
    11. EPA Substance Registry System: Ethanone, 1-[4-(3-chloropropyl)phenyl]-(91427-06-4)
  • 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: 91427-06-4(Hazardous Substances Data)

91427-06-4 Usage

Uses

Used in Perfumery and Flavoring Industry:
Ethanone, 1-[4-(3-chloropropyl)phenyl]is used as a fragrance ingredient for its sweet, floral, and woody scent, adding depth and complexity to perfumes and enhancing the aroma of various food products.
Used in Pharmaceutical Synthesis:
This chemical compound is utilized as a precursor in the synthesis of pharmaceuticals, contributing to the development of new drugs and medicinal compounds.
Used in Medicinal Chemistry:
Ethanone, 1-[4-(3-chloropropyl)phenyl]is studied for its potential antimicrobial and antifungal properties, making it a valuable compound in the research and development of new treatments for infectious diseases.
Used in Chemical Research:
As a versatile aromatic ketone, this compound is employed in various chemical research applications, exploring its reactivity, properties, and potential uses in the synthesis of other organic compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 91427-06-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,1,4,2 and 7 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 91427-06:
(7*9)+(6*1)+(5*4)+(4*2)+(3*7)+(2*0)+(1*6)=124
124 % 10 = 4
So 91427-06-4 is a valid CAS Registry Number.

91427-06-4SDS

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-(3-chloropropyl)phenyl]ethanone

1.2 Other means of identification

Product number -
Other names 4'-(3-chloropropyl)acetophenone

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:91427-06-4 SDS

91427-06-4Relevant articles and documents

Redox-Neutral Photocatalytic Cyclopropanation via Radical/Polar Crossover

Phelan, James P.,Lang, Simon B.,Compton, Jordan S.,Kelly, Christopher B.,Dykstra, Ryan,Gutierrez, Osvaldo,Molander, Gary A.

supporting information, p. 8037 - 8047 (2018/07/03)

A benchtop stable, bifunctional reagent for the redox-neutral cyclopropanation of olefins has been developed. Triethylammonium bis(catecholato)iodomethylsilicate can be readily prepared on multigram scale. Using this reagent in combination with an organic photocatalyst and visible light, cyclopropanation of an array of olefins, including trifluoromethyl- and pinacolatoboryl-substituted alkenes, can be accomplished in a matter of hours. The reaction is highly tolerant of traditionally reactive functional groups (carboxylic acids, basic heterocycles, alkyl halides, etc.) and permits the chemoselective cyclopropanation of polyolefinated compounds. Mechanistic interrogation revealed that the reaction proceeds via a rapid anionic 3-exo-tet ring closure, a pathway consistent with experimental and computational data.

PROCESS FOR PREPARING BENZOFURAN DERIVATIVES SUBSTITUTED AT POSITION 5

-

Paragraph 0151-0155, (2013/07/05)

The disclosure relates to a process for preparing benzofuran derivatives of general formula I: in which R, R1, and R2 are as defined in the disclosure; by coupling the hydroxylamine with a diketone of general formula III: in order to form an oxime that is then cyclized by heating in order to form the desired compound.

One-pot synthesis of carbamoyl azides directly from primary alcohols and oxidation of secondary alcohols to ketones using iodobenzene dichloride in combination with sodium azide

Li, Xiao-Qiang,Wang, Wei-Kun,Zhang, Chi

scheme or table, p. 2342 - 2350 (2009/12/27)

An effective synthesis of carbamoyl azides directly from primary alcohols using iodobenzene dichloride in combination with sodium azide has been developed. Moreover, the same regent combination was also efficient for the oxidation of secondary alcohols to the corresponding ketones.

3-Azabicyclo[3.1.0]hexane derivatives useful in therapy

-

, (2008/06/13)

Compounds of formula I, where the substituents are as defined herein, and the pharmaceutically or veterinarily acceptable derivatives or prodrugs thereof, are pharmaceutically and veterinarily useful, in particular they bind to opiate receptors (e.g. mu,

B-alkyl suzuki-miyaura cross-coupling reactions with air-stable potassium alkyltrifluoroborates

Molander, Gary A.,Yun, Chang-Soo,Ribagorda, Maria,Biolatto, Betina

, p. 5534 - 5539 (2007/10/03)

The palladium-catalyzed cross-coupling reaction of substituted potassium alkyltrifluoroborates with aryl halides and aryl triflates proceeds readily with moderate to good yields. The potassium alkyltrifluoroborates 1, 2, and 3a-e were easily synthesized and obtained as air-stable crystalline solids that can be stored for long periods of time. All of the cross-couplings proceed under the same reaction conditions using PdCl2(dppf)·CH2cl2 as catalyst in THF-H2O in the presence of 3 equiv of Cs2CO3 as base.

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