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