2-Amino-3-nitrobenzoic acid CAS606-18-8

Details:

Density 1.6± 0.1g /cm3
Boiling point 390.4±32.0 °C at 760 mmHg
Melting point 207-211°C
Molecular formula C7H6N2O4
Molecular weight 182.133
Flash point 189.9±25.1 °C
Accurate mass 182.032761
PSA 109.14000
LogP 2.30
Appearance Characteristics White to brown solid, powder, crystal, crystalline powder, and/or bulk
Vapor pressure 0.0±0.9 mmHg at 25°C
Refractive index 1.682
Storage condition
Storage:

Seal the container, store it in the sealed main container, and keep it in a cool, dry place.

stability
Properties and stability:

At normal temperature and pressure, or do not decompose products.

Molecular structure
V. Molecular Property Data:

1. Molar refractive index: 43.96

2. Molar volume (m3/mol) : 116.0

3. Isotropic specific volume (90.2K) : 350.7

4. Surface tension (dyne/cm) : 83.3

5. Polarization (10-24cm 3) : 17.42

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) : None

2. Number of hydrogen bond donors :2

3. Number of hydrogen bond receptors :5

4. Number of rotatable bonds :1

5. Number of tautomers :3

6. Topological molecular polar surface area 109

7. Number of heavy atoms :13

8. Surface charge :0

9. Complexity :225

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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