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78857-86-0

4'-(2'',4''-DINITRO-6''-TRIFLUOROMETHYLPHENYL)-AMINOBENZO-15-CROWN-5 is a unique chemical compound that belongs to the crown ether family. It features a benzene ring with a dinitrotrifluoromethyl phenyl group, an amino group, and a benzo-15-crown-5 ring. 4'-(2'',4''-DINITRO-6''-TRIFLUOROMETHYLPHENYL)-AMINOBENZO-15-CROWN-5 is known for its selective binding affinity with certain metal ions, which makes it a valuable asset in various chemical research and industrial applications.

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  • 4'-(2'',4''-DINITRO-6''-TRIFLUOROMETHYLPHENYL)-AMINOBENZO-15-CROWN-5

    Cas No: 78857-86-0

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  • N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-amine

    Cas No: 78857-86-0

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  • 78857-86-0 Structure

  • Basic information

    1. Product Name: 4'-(2'',4''-DINITRO-6''-TRIFLUOROMETHYLPHENYL)-AMINOBENZO-15-CROWN-5
    2. Synonyms: 4'-(2'',4''-DINITRO-6''-TRIFLUOROMETHYLPHENYL)-AMINOBENZO-15-CROWN-5;4'-(2,4-DINITRO-6-TRIFLUOROMETHYLPHENYL)-AMINOBENZO-15-CROWN-5;4'-[2",4"-Dinitro-6"-(trifluoromethyl)phenyl]aminobenzo-15-crown-5 97%;4'-[2",4"-Dinitro-6"-(trifluoromethyl)phenyl]aminobenzo-15-crown-597%;4zzhlxy-(2zzhlxyzzhlxy, 4zzhlxyzzhlxy-Dinitro-6zzhlxyzzhlxy-trifluoromethylphenyl)aminobenzo-15-Crown-5
    3. CAS NO:78857-86-0
    4. Molecular Formula: C21H22F3N3O9
    5. Molecular Weight: 517.41
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 78857-86-0.mol

  • Chemical Properties

    1. Melting Point: 171 °C
    2. Boiling Point: 571°C at 760 mmHg
    3. Flash Point: 299.1°C
    4. Appearance: /
    5. Density: 1.382g/cm3
    6. Vapor Pressure: 4.76E-13mmHg at 25°C
    7. Refractive Index: 1.537
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 4'-(2'',4''-DINITRO-6''-TRIFLUOROMETHYLPHENYL)-AMINOBENZO-15-CROWN-5(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4'-(2'',4''-DINITRO-6''-TRIFLUOROMETHYLPHENYL)-AMINOBENZO-15-CROWN-5(78857-86-0)
    12. EPA Substance Registry System: 4'-(2'',4''-DINITRO-6''-TRIFLUOROMETHYLPHENYL)-AMINOBENZO-15-CROWN-5(78857-86-0)

  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 78857-86-0(Hazardous Substances Data)

78857-86-0 Usage

Uses

Used in Chemical Research:
4'-(2'',4''-DINITRO-6''-TRIFLUOROMETHYLPHENYL)-AMINOBENZO-15-CROWN-5 is used as a research compound for its ability to form stable complexes with metal ions. This property is crucial for studying metal ion interactions and developing new methods for metal ion sensing, separation, and extraction.
Used in Industrial Applications:
In the industrial sector, 4'-(2'',4''-DINITRO-6''-TRIFLUOROMETHYLPHENYL)-AMINOBENZO-15-CROWN-5 is utilized for its metal ion binding capabilities, which can be applied in processes such as metal ion sensing, separation, and extraction. Its ability to selectively bind with metal ions makes it a valuable tool for improving the efficiency and selectivity of these processes.
Used in Organic Synthesis:
4'-(2'',4''-DINITRO-6''-TRIFLUOROMETHYLPHENYL)-AMINOBENZO-15-CROWN-5 is also used as a building block in organic synthesis. The presence of the dinitrotrifluoromethyl phenyl group and amino group allows for the creation of more complex molecules, expanding the compound's potential applications in the synthesis of new organic compounds.
Used in Pharmaceutical Industry:
Although not explicitly mentioned in the provided materials, the unique structure and properties of 4'-(2'',4''-DINITRO-6''-TRIFLUOROMETHYLPHENYL)-AMINOBENZO-15-CROWN-5 may also make it a candidate for pharmaceutical applications. Its ability to bind with metal ions could potentially be harnessed in the development of drugs targeting metal ion-related diseases or conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 78857-86-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,8,8,5 and 7 respectively; the second part has 2 digits, 8 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 78857-86:
(7*7)+(6*8)+(5*8)+(4*5)+(3*7)+(2*8)+(1*6)=200
200 % 10 = 0
So 78857-86-0 is a valid CAS Registry Number.
InChI:InChI=1/C21H22F3N3O9/c22-21(23,24)16-12-15(26(28)29)13-17(27(30)31)20(16)25-14-1-2-18-19(11-14)36-10-8-34-6-4-32-3-5-33-7-9-35-18/h1-2,11-13,25H,3-10H2

78857-86-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-amine

1.2 Other means of identification

Product number -
Other names -

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:78857-86-0 SDS

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