Aniline Yellow

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Used in the preparation of azo dyes and oxazine dyes, etc., and used as alcohol-soluble yellow and pH indicator

Density 1.1±0.1 g/cm3

Boiling point 360.7±15.0 °C at 760 mmHg

Melting point 123-126 °C(lit.)

Molecular formula C12H11N3

Molecular weight 197.236

Flash point 171.9±20.4 °C

Accurate quality 197.095291

PSA 50.74000

LogP 3.41

Appearance: orange powder

Vapor pressure 0.0±0.8 mmHg at 25°C

Refractive index 1.611

Storage conditions        

Store in a cool, dry and dark place.


Stability

1. May cause cancer.


Molecular Structure        

1. Molar refractive index: 60.77


2. Molar volume (cm3/mol): 174.9


3. Isotonic specific volume (90.2K): 454.7


4. Surface tension (dyne/cm): 45.6


5. Polarizability (10-24cm3): 24.09


Computational Chemistry

1. The calculation reference value of hydrophobic parameter (XlogP): 3.4


2. Number of hydrogen bond donors: 1


3. Number of hydrogen bond acceptors: 3


4. Number of rotatable chemical bonds: 2


5. Number of tautomers: 2


6. Topological molecular polar surface area (TPSA): 50.7


7. Number of heavy atoms: 15


8. Surface charge: 0


9. Complexity: 201


10. Number of isotopic atoms: 0


11. Determine the number of atomic stereo centers: 0


12. Uncertain number of atomic stereo centers: 0


13. Determine the number of chemical bond stereo centers: 0


14. Uncertain the number of chemical bond stereo centers: 0


15. Number of covalent bond units: 1


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