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3-(4-CHLORO-PHENOXY)-PHENYLAMINE is a chemical compound consisting of a 4-chloro-phenoxy group and a phenylamine group. It is known for its biological activities and is utilized as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Its chemical structure allows for the modification and optimization of various bioactive compounds, making it a valuable asset in medicinal chemistry and drug discovery.

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  • 105945-24-2 Structure
  • Basic information

    1. Product Name: 3-(4-CHLORO-PHENOXY)-PHENYLAMINE
    2. Synonyms: 3-(4-CHLORO-PHENOXY)-PHENYLAMINE
    3. CAS NO:105945-24-2
    4. Molecular Formula: C12H10ClNO
    5. Molecular Weight: 219.67
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 105945-24-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 345.6 °C at 760 mmHg
    3. Flash Point: 162.8 °C
    4. Appearance: /
    5. Density: 1.26 g/cm3
    6. Vapor Pressure: 6.11E-05mmHg at 25°C
    7. Refractive Index: 1.627
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-(4-CHLORO-PHENOXY)-PHENYLAMINE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-(4-CHLORO-PHENOXY)-PHENYLAMINE(105945-24-2)
    12. EPA Substance Registry System: 3-(4-CHLORO-PHENOXY)-PHENYLAMINE(105945-24-2)
  • 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: 105945-24-2(Hazardous Substances Data)

105945-24-2 Usage

Uses

Used in Pharmaceutical Industry:
3-(4-CHLORO-PHENOXY)-PHENYLAMINE is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure enables the development of new medicines with improved efficacy and safety profiles.
Used in Agrochemical Industry:
3-(4-CHLORO-PHENOXY)-PHENYLAMINE is used as a chemical intermediate in the production of agrochemicals. It contributes to the development of more effective and environmentally friendly pesticides and other agricultural products.
Used in Medicinal Chemistry Research:
3-(4-CHLORO-PHENOXY)-PHENYLAMINE is utilized as a research compound in medicinal chemistry. Its potential for further modification and optimization makes it a promising candidate for the discovery of novel bioactive compounds with therapeutic applications.
Used in Drug Discovery:
3-(4-CHLORO-PHENOXY)-PHENYLAMINE is employed in drug discovery processes. Its biological activities and chemical properties facilitate the identification and development of new drugs with potential therapeutic benefits.

Check Digit Verification of cas no

The CAS Registry Mumber 105945-24-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,5,9,4 and 5 respectively; the second part has 2 digits, 2 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 105945-24:
(8*1)+(7*0)+(6*5)+(5*9)+(4*4)+(3*5)+(2*2)+(1*4)=122
122 % 10 = 2
So 105945-24-2 is a valid CAS Registry Number.
InChI:InChI=1/C12H10ClNO/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H,14H2

105945-24-2SDS

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 3-(4-chlorophenoxy)aniline

1.2 Other means of identification

Product number -
Other names 3-(4-chloro-phenoxy)-aniline

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:105945-24-2 SDS

105945-24-2Relevant articles and documents

Catalytic production of anilines by nitro-compounds hydrogenation over highly recyclable platinum nanoparticles supported on halloysite nanotubes

Aepuru, Radhamanohar,Bustamante, Tatiana M.,Campos, Cristian H.,Leal-Villarroel, Edgardo,Mangalaraja, Ramalinga Viswanathan,Shanmugaraj, Krishnamoorthy,Torres, Cecilia C.,Vinoth, Victor

, (2021/07/28)

Pt-nanoparticles supported on halloysite-nanotubes (HNTs) were selectively deposited onto the inner (Pt(IN)/HNT) or outer (Pt(OUT)/HNT) surface of the support to evaluate their operational stability on the cleaner and efficient hydrogenation of nitro compounds to produce their corresponding anilines. The formation of Pt0-aggregates on the inner or outer surfaces was observed, with mean particles sizes of 2.4–2.9 nm. The catalysts were evaluated using ethanol as solvent and nitrobenzene as a model substrate at a temperature of 298 K, under 1 bar of H2 pressure. The Pt(IN)/HNT catalyst showed better catalytic performance than Pt(OUT)/HNT, which was mainly attributed to the confinement effect of the Pt-nanoparticles inside the HNTs. However, the operational stability showed that Pt(OUT)/HNT retained its catalytic performance after 15 cycles, while the Pt(IN)/HNT catalyst suffered deactivation after the 5th cycle. The best catalytic system showed a moderate-to-high efficiency in the efficient hydrogenation of 7 nitro compounds used to produce their corresponding anilines, which are important pharmaceutical building blocks.

Orthogonal Cu- and Pd-based catalyst systems for the O- and N-arylation of aminophenols

Maiti, Debabrata,Buchwald, Stephen L.

supporting information; experimental part, p. 17423 - 17429 (2010/03/25)

O- or N-arylated aminophenol products constitute a common structural motif in various potentially useful therapeutic agents and/or drug candidates. We have developed a complementary set of Cu- and Pd-based catalyst systems for the selective O- and N-arylation of unprotected aminophenols using aryl halides. Selective O-arylation of 3- and 4-aminophenols is achieved with copper-catalyzed methods employing picolinic acid or CyDMEDA, trans-N,N′-dimethyl-1,2- cyclohexanediamine, respectively, as the ligand. The selective formation of N-arylated products of 3- and 4-aminophenols can be obtained with BrettPhos precatalyst, a biarylmonophosphine-based palladium catalyst. 2-Aminophenol can be selectively N-arylated with CuI, although no system for the selective O-arylation could be found. Coupling partners with diverse electronic properties and a variety of functional groups can be selectively transformed under these conditions.

1H,3H-PYRROL[1,2-c]THIAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM

-

, (2008/06/13)

A compound of the general formula I; STR1 in which R is hydrogen or a halogen or an alkyl, alkyloxy, alkylthio, trifluoromethyl, amino, alkylamino, dialkylamino, hydroxy, cyano, carboxy, alkylsulphinyl, alkylsulphonyl, sulphamido, alkylsulphamido, dialkylsulphamido, carbamoyl, alkylcarbamoyl, dialkylcarbamoyl, phenylcarbamoyl, diphenylcarbamoyl, pyridylcarbamoyl, dipyridylcarbamoyl, benzyl, alkylcarbonyl, benzoyl, alkyloxycarbonyl, phenoxycarbonyl, alkylcarbonyloxy, benzoyloxy, alkylcarbonylamino, benzamido, phenyl, phenoxy or phenylthio group, X is oxygen or sulphur or an imino, alkylimino, phenylimino, benzylimino, sulphinyl, sulphonyl, carbonyl, carbonylmethylene, methylenecarbonyl, carbonylvinylene or vinylenecarbonyl group, or X represents a valency bond or a straight-chain alkylene group containing 1 to 4 carbon atoms and Ar is a phenyl, naphthyl, pyridyl, quinolinyl, isoquinolinyl, thienyl, benzothienyl, thieno 3,2-b!thien-2-yl or thieno 2,3-b!thien-2-yl group, it being possible for the group Ar to be unsubstituted or substituted with one or more halogen or alkyl, alkyloxy, alkylthio, trifluoromethyl, amino, alkylamino, dialkylamino, hydroxy, cyano, carboxy, alkylsulphinyl, alkylsulphonyl, sulphamido, alkylsulphamido, dialkylsulphamido, carbamoyl, alkylcarbamoyl, dialkylcarbamoyl, phenylcarbamoyl, diphenylcarbamoyl, pyridylcarbamoyl, dipyridylcarbamoyl, benzyl, alkylcarbonyl, benzoyl, alkyloxycarbonyl, phenoxycarbonyl, alkylcarbonyloxy, benzoyloxy, alkylcarbonylamino or benzamido group;each alkyl moiety containing 1 to 4 straight-or branched-chain carbon atoms; the compound being in separate enantiomeric form or mixtures thereof or a pharmaceutically acceptable salt thereof is useful in the treatment of all the pathological conditions in which PAF-acether may be directly or indirectly implicated.

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