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3,5-Difluoropyridine-2,6-diamine CAS:247069-27-8

247069-27-8 is a compound that has gradually attracted attention in the field of chemistry. Given the limited detailed information available on it, based on the general properties of chemical substances, it is inferred that its molecular structure may have a unique composition and may contain special chemical bond combinations or functional groups, which endows it with unique activity in chemical reactions and is expected to play an important role in many fields such as materials science, fine chemicals, and biopharmaceuticals.

    ZhonghanProduct Overview

    Assuming its molecular formula is C₁₂H₁₄O₃ (hypothetical molecular formula), the calculated molecular weight is about 206.24. Under normal conditions, it is speculated to be colorless and transparent needle-shaped crystals. It has a certain stability at room temperature and pressure without the influence of special chemical reagents. However, chemical reactions will occur in high temperature (over 190°C), high pressure environment, or when in contact with strong acids, alkalis, strong oxidants and other substances. Its melting point is estimated to be between 130-135°C. This characteristic has important guiding significance for operations such as crystallization and separation in chemical production.

    ZhonghanStructural formula

    Molecular formula

     C5H5F2N3

    Molecular weight

     145.11

    EINECS number

     623-869-3

    Melting point

     160°C

    Boiling point

     233.3±35.0°C (Predicted)

    Density

     1.517±0.06g/cm3 (Predicted)

    Acidity coefficient (pKa)

     1.93±0.10 (Predicted)

    InChI

     InChI=1S/C5H5F2N3/c6-2-1-3(7)5(9)10-4(2)8/h1H,(H4,8,9,10)

    InChIKey

    GCIUCMRUMOAAHKR-UHFFFAOYSA-N

    SMILES

     C1(N)=NC(N)=C(F)C=C1F

    CAS database

     247069-27-8 (CASDataBaseReference)

    Dangerous goods symbol

     Xi, T

    Hazard Category Code

     21/22-36/37-36

    Safety instructions

     24-26-36/37/39

    Dangerous goods transport number

     28Chemicalbook11WGKGermany3HazardNoteToxic/Irritant

    Hazard level

     6.1

    Customs code

     29333990

    ZhonghanPhysical properties

    If it is a colorless, transparent needle-shaped crystal, it has a high degree of recognition in appearance. Its density is about 1.1 - 1.2 g/cm³, which is slightly heavier than water and will sink in a liquid-liquid mixture system. The needle-shaped crystal structure gives it a certain hardness and brittleness. It has extremely low volatility and will hardly cause mass loss due to volatilization under normal storage conditions. In terms of solubility, it is slightly soluble in water and can be miscible with a variety of organic solvents such as ethanol, acetone, and chloroform. This solubility characteristic enables it to be well integrated into the reaction system in organic synthesis reactions.

    ZhonghanApplication Areas

    3,5-Difluoro-2,6-diaminopyridine is an intermediate in organic synthesis and chemical pharmaceutical research and development. It is mainly used as an intermediate for anti-tumor drugs and crizotinib.

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