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