2,5-Dimethylnitrobenzene CAS89-58-7

Details:

Density 1.1± 0.1g /cm3
Boiling point 240.5±0.0 °C at 760 mmHg
Melting point -25ºC
Molecular formula C8H9NO2
Molecular weight 151.163
Flash point 100.0±11.5 °C
Accurate mass 151.063324
PSA 45.82000
LogP is 2.87
Appearance properties light yellow liquid
Vapor pressure 0.1±0.4 mmHg at 25°C
Refractive index 1.547
Storage condition
Storage Precautions Store in a cool, ventilated warehouse. Keep away from fire and heat. Keep the container sealed. It should be stored separately from oxidant, alkali and edible chemicals, and should not be mixed. Equipped with the corresponding variety and quantity of fire equipment. The storage area should be equipped with leak emergency treatment equipment and suitable holding materials.

stability
1. Stability and stability

2. Forbidden compound strong oxidant, strong base

3. Avoid heat in contact conditions

4. Polymerization harms non-polymerization

5. Decomposition product nitrogen oxides

Molecular structure
1. Molar refractive index: 42.44

2, molar volume (cm3/mol) : 133.8

3. Isotropic volume (90.2K) : 338.0

4. Surface tension (dyne/cm) : 40.7

5. Polarization (10-24cm3) : 16.82

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :2.5

2. Number of hydrogen bond donors :0

3. Number of hydrogen bond receptors :2

4. Number of rotatable bonds :0

5. Number of tautomers: None

6. Topological molecular polar surface area 45.8

7. Number of heavy atoms :11

8. Surface charge :0

9. Complexity :153

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of indeterminate atomic orthotropic centers :0

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

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

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