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2-AMINO-4-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO-1,3,5-TRIAZINE is a triazine derivative chemical compound with the molecular formula C12H7F6N5. It features two amino groups and three trifluoromethylated phenyl groups, making it a versatile building block in the synthesis of pharmaceuticals and agrochemicals. Its unique structure, including the presence of trifluoromethyl groups, enhances its utility in drug design and discovery, as well as in the development of new materials with tailored properties.

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  • 66088-50-4 Structure
  • Basic information

    1. Product Name: 2-AMINO-4-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO-1,3,5-TRIAZINE
    2. Synonyms: 2-AMINO-4-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO-1,3,5-TRIAZINE;BUTTPARK 44\01-50;2-Amino-4-[3,5-bis(trifluoromethyl)phenyl]amino-1,3,5-triazine 97%;2-Amino-4-[3,5-bis(trifluoromethyl)phenyl]amino-1,3,5-triazine97%;2-AMINO-4-(3,5-BIS(TRIFLUOROMETHYL) PHENYL) AMINO-N-1,3,5-TRIAZINE;2-AMINO-4-(3,5-BIS(TRIFLUOROMETHYL)AMINO)-1,3,5-TRIAZINE;N2-[3,5-di(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
    3. CAS NO:66088-50-4
    4. Molecular Formula: C11H7F6N5
    5. Molecular Weight: 323.2
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 66088-50-4.mol
  • Chemical Properties

    1. Melting Point: 259-261°C
    2. Boiling Point: 374.2°C at 760 mmHg
    3. Flash Point: 180.1°C
    4. Appearance: /
    5. Density: 1.58g/cm3
    6. Vapor Pressure: 8.5E-06mmHg at 25°C
    7. Refractive Index: 1.539
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 3.43±0.10(Predicted)
    11. CAS DataBase Reference: 2-AMINO-4-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO-1,3,5-TRIAZINE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-AMINO-4-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO-1,3,5-TRIAZINE(66088-50-4)
    13. EPA Substance Registry System: 2-AMINO-4-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO-1,3,5-TRIAZINE(66088-50-4)
  • Safety Data

    1. Hazard Codes: Xi
    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: 66088-50-4(Hazardous Substances Data)

66088-50-4 Usage

Uses

Used in Pharmaceutical Industry:
2-AMINO-4-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO-1,3,5-TRIAZINE is used as a building block for the synthesis of various pharmaceuticals. Its unique structure allows for the development of new drugs with improved potency, selectivity, and pharmacokinetic properties.
Used in Agrochemical Industry:
In the agrochemical industry, 2-AMINO-4-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO-1,3,5-TRIAZINE serves as a key intermediate in the synthesis of agrochemicals, such as pesticides and herbicides. Its incorporation into these compounds can lead to enhanced efficacy and selectivity against target pests and weeds.
Used in Organic Chemistry:
2-AMINO-4-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO-1,3,5-TRIAZINE is employed as a reagent in organic chemistry for the formation of biologically active compounds. Its presence in reactions can facilitate the synthesis of complex organic molecules with potential applications in various fields, including medicine, materials science, and agriculture.
Used in Drug Design and Discovery:
The presence of trifluoromethyl groups in the structure of 2-AMINO-4-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO-1,3,5-TRIAZINE makes it a valuable tool in drug design and discovery. The trifluoromethyl group is known to impart unique properties to molecules, such as increased lipophilicity and metabolic stability, which can be beneficial in the development of new drugs with improved pharmacological profiles.
Used in the Development of New Materials:
2-AMINO-4-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO-1,3,5-TRIAZINE can also be utilized in the development of new materials with specific properties. Its unique structure and functional groups can be exploited to create materials with tailored characteristics, such as improved thermal stability, chemical resistance, or specific binding affinities, which can be applied in various industries, including electronics, coatings, and sensors.

Check Digit Verification of cas no

The CAS Registry Mumber 66088-50-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,6,0,8 and 8 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 66088-50:
(7*6)+(6*6)+(5*0)+(4*8)+(3*8)+(2*5)+(1*0)=144
144 % 10 = 4
So 66088-50-4 is a valid CAS Registry Number.
InChI:InChI=1/C11H7F6N5/c12-10(13,14)5-1-6(11(15,16)17)3-7(2-5)21-9-20-4-19-8(18)22-9/h1-4H,(H3,18,19,20,21,22)

66088-50-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Amino-4-[3,5-bis(trifluoromethyl)phenyl]-amino-1,3,5-triazine

1.2 Other means of identification

Product number -
Other names 2-N-[3,5-bis(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

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:66088-50-4 SDS

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